2,3-dimethylbutane;1-methoxy-3-methylbutane;2-methylbutane;3-methylbutan-2-one;2-methylhexane;2-methylpropane;2-methylpropylcyclopropane;3-(2-methylpropyl)oxetane;3-(2-methylpropyl)oxolane;1,1,1-trifluoro-3-methylbutane;N,N,3-trimethylbutan-1-amine

C67H146F3NO4 — CID 167651770

IUPAC2,3-dimethylbutane;1-methoxy-3-methylbutane;2-methylbutane;3-methylbutan-2-one;2-methylhexane;2-methylpropane;2-methylpropylcyclopropane;3-(2-methylpropyl)oxetane;3-(2-methylpropyl)oxolane;1,1,1-trifluoro-3-methylbutane;N,N,3-trimethylbutan-1-amine
SMILESCC(=O)C(C)C.CC(C)C.CC(C)C(C)C.CC(C)CC(F)(F)F.CC(C)CC1CC1.CC(C)CC1CCOC1.CC(C)CC1COC1.CC(C)CCN(C)C.CCC(C)C.CCCCC(C)C.COCCC(C)C
InChIInChI=1S/C8H16O.C7H17N.C7H14O.C7H14.C7H16.C6H14O.C6H14.C5H9F3.C5H10O.C5H12.C4H10/c1-7(2)5-8-3-4-9-6-8;1-7(2)5-6-8(3)4;1-6(2)3-7-4-8-5-7;1-6(2)5-7-3-4-7;1-4-5-6-7(2)3;1-6(2)4-5-7-3;1-5(2)6(3)4;1-4(2)3-5(6,7)8;1-4(2)5(3)6;1-4-5(2)3;1-4(2)3/h7-8H,3-6H2,1-2H3;7H,5-6H2,1-4H3;6-7H,3-5H2,1-2H3;6-7H,3-5H2,1-2H3;7H,4-6H2,1-3H3;6H,4-5H2,1-3H3;5-6H,1-4H3;4H,3H2,1-2H3;4H,1-3H3;5H,4H2,1-3H3;4H,1-3H3
InChIKeyQRFOCSYWUFDZCB-UHFFFAOYSA-N
MW1086.90 g/mol
LogP22.14
Rot. Bonds19

About 2,3-dimethylbutane;1-methoxy-3-methylbutane;2-methylbutane;3-methylbutan-2-one;2-methylhexane;2-methylpropane;2-methylpropylcyclopropane;3-(2-methylpropyl)oxetane;3-(2-methylpropyl)oxolane;1,1,1-trifluoro-3-methylbutane;N,N,3-trimethylbutan-1-amine

2,3-dimethylbutane;1-methoxy-3-methylbutane;2-methylbutane;3-methylbutan-2-one;2-methylhexane;2-methylpropane;2-methylpropylcyclopropane;3-(2-methylpropyl)oxetane;3-(2-methylpropyl)oxolane;1,1,1-trifluoro-3-methylbutane;N,N,3-trimethylbutan-1-amine (PubChem CID 167651770) has the molecular formula C67H146F3NO4 and a molecular weight of 1086.90 g/mol. Its IUPAC name is 2,3-dimethylbutane;1-methoxy-3-methylbutane;2-methylbutane;3-methylbutan-2-one;2-methylhexane;2-methylpropane;2-methylpropylcyclopropane;3-(2-methylpropyl)oxetane;3-(2-methylpropyl)oxolane;1,1,1-trifluoro-3-methylbutane;N,N,3-trimethylbutan-1-amine.

Molecular Properties

Compound Name2,3-dimethylbutane;1-methoxy-3-methylbutane;2-methylbutane;3-methylbutan-2-one;2-methylhexane;2-methylpropane;2-methylpropylcyclopropane;3-(2-methylpropyl)oxetane;3-(2-methylpropyl)oxolane;1,1,1-trifluoro-3-methylbutane;N,N,3-trimethylbutan-1-amine
PubChem CID167651770
Molecular FormulaC67H146F3NO4
Molecular Weight1086.90 g/mol
Exact Mass1086.12
IUPAC Name2,3-dimethylbutane;1-methoxy-3-methylbutane;2-methylbutane;3-methylbutan-2-one;2-methylhexane;2-methylpropane;2-methylpropylcyclopropane;3-(2-methylpropyl)oxetane;3-(2-methylpropyl)oxolane;1,1,1-trifluoro-3-methylbutane;N,N,3-trimethylbutan-1-amine
SMILESCC(=O)C(C)C.CC(C)C.CC(C)C(C)C.CC(C)CC(F)(F)F.CC(C)CC1CC1.CC(C)CC1CCOC1.CC(C)CC1COC1.CC(C)CCN(C)C.CCC(C)C.CCCCC(C)C.COCCC(C)C
InChIInChI=1S/C8H16O.C7H17N.C7H14O.C7H14.C7H16.C6H14O.C6H14.C5H9F3.C5H10O.C5H12.C4H10/c1-7(2)5-8-3-4-9-6-8;1-7(2)5-6-8(3)4;1-6(2)3-7-4-8-5-7;1-6(2)5-7-3-4-7;1-4-5-6-7(2)3;1-6(2)4-5-7-3;1-5(2)6(3)4;1-4(2)3-5(6,7)8;1-4(2)5(3)6;1-4-5(2)3;1-4(2)3/h7-8H,3-6H2,1-2H3;7H,5-6H2,1-4H3;6-7H,3-5H2,1-2H3;6-7H,3-5H2,1-2H3;7H,4-6H2,1-3H3;6H,4-5H2,1-3H3;5-6H,1-4H3;4H,3H2,1-2H3;4H,1-3H3;5H,4H2,1-3H3;4H,1-3H3
InChIKeyQRFOCSYWUFDZCB-UHFFFAOYSA-N
XLogP22.14
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds19
Heavy Atoms75
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001086.90
LogP ≤ 522.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2,3-dimethylbutane;1-methoxy-3-methylbutane;2-methylbutane;3-methylbutan-2-one;2-methylhexane;2-methylpropane;2-methylpropylcyclopropane;3-(2-methylpropyl)oxetane;3-(2-methylpropyl)oxolane;1,1,1-trifluoro-3-methylbutane;N,N,3-trimethylbutan-1-amine with MolForge

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Related Compounds

5-methoxy-N-methyl-1-(oxolan-3-yl)pentan-2-amine
CID 114856903
2-[butan-2-yl(2-methoxyethyl)amino]-1-(oxolan-3-yl)ethanol
CID 113449128
1-methoxy-3-methylbutane;2-methylbutane;2-methylpropane
CID 158816620
methyl 2-(oxolan-3-ylmethylamino)hexanoate
CID 103868431
6-methyl-1-(oxolan-3-yl)-N-propylheptan-2-amine
CID 113362206
2-[3-methoxypropyl(methyl)amino]-1-(oxolan-3-yl)ethanol
CID 104752833
6,6,6-trifluoro-1-(oxolan-3-yl)-N-propylhexan-2-amine
CID 103987551
2-amino-N-ethyl-N-(oxolan-3-ylmethyl)hexanamide
CID 54874277
methyl 2-ethyl-3-oxo-4-(oxolan-3-yl)butanoate
CID 103987726
2-[2-methoxyethyl(1-methoxypropan-2-yl)amino]-1-(oxolan-3-yl)ethanol
CID 113449126
6,6,6-trifluoro-1-(oxolan-3-yl)hexan-2-amine
CID 103986760
1-chloro-3-propan-2-ylcyclobutane;2,3-dimethylbutane;2,4-dimethylpentane;2-methylbutane;3-methylbutan-1-ol;2-methylhexane;3-methyl-1-methylsulfonylbutane;2-methylpentane;1-methyl-4-propan-2-ylpiperidine;1-methylsulfonyl-4-propan-2-ylpiperidine;propan-2-ylcyclobutane;3-propan-2-ylcyclobutan-1-ol;bis(propan-2-ylcyclohexane);propan-2-ylcyclopentane;propan-2-ylcyclopropane;4-propan-2-yloxane;3-propan-2-yloxetane;4-propan-2-ylpiperidine;1-(4-propan-2-ylpiperidin-1-yl)ethanone;N,N,3-trimethylbutan-1-amine;2,2,3-trimethylbutane;2,2,4-trimethylpentane;N,N,2-trimethylpropan-1-amine
CID 167613693

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethylbutane;1-methoxy-3-methylbutane;2-methylbutane;3-methylbutan-2-one;2-methylhexane;2-methylpropane;2-methylpropylcyclopropane;3-(2-methylpropyl)oxetane;3-(2-methylpropyl)oxolane;1,1,1-trifluoro-3-methylbutane;N,N,3-trimethylbutan-1-amine?
The IUPAC name of 2,3-dimethylbutane;1-methoxy-3-methylbutane;2-methylbutane;3-methylbutan-2-one;2-methylhexane;2-methylpropane;2-methylpropylcyclopropane;3-(2-methylpropyl)oxetane;3-(2-methylpropyl)oxolane;1,1,1-trifluoro-3-methylbutane;N,N,3-trimethylbutan-1-amine (CID 167651770) is 2,3-dimethylbutane;1-methoxy-3-methylbutane;2-methylbutane;3-methylbutan-2-one;2-methylhexane;2-methylpropane;2-methylpropylcyclopropane;3-(2-methylpropyl)oxetane;3-(2-methylpropyl)oxolane;1,1,1-trifluoro-3-methylbutane;N,N,3-trimethylbutan-1-amine.
What is the SMILES notation for 2,3-dimethylbutane;1-methoxy-3-methylbutane;2-methylbutane;3-methylbutan-2-one;2-methylhexane;2-methylpropane;2-methylpropylcyclopropane;3-(2-methylpropyl)oxetane;3-(2-methylpropyl)oxolane;1,1,1-trifluoro-3-methylbutane;N,N,3-trimethylbutan-1-amine?
The canonical SMILES for 2,3-dimethylbutane;1-methoxy-3-methylbutane;2-methylbutane;3-methylbutan-2-one;2-methylhexane;2-methylpropane;2-methylpropylcyclopropane;3-(2-methylpropyl)oxetane;3-(2-methylpropyl)oxolane;1,1,1-trifluoro-3-methylbutane;N,N,3-trimethylbutan-1-amine is CC(=O)C(C)C.CC(C)C.CC(C)C(C)C.CC(C)CC(F)(F)F.CC(C)CC1CC1.CC(C)CC1CCOC1.CC(C)CC1COC1.CC(C)CCN(C)C.CCC(C)C.CCCCC(C)C.COCCC(C)C.
What is the InChIKey of 2,3-dimethylbutane;1-methoxy-3-methylbutane;2-methylbutane;3-methylbutan-2-one;2-methylhexane;2-methylpropane;2-methylpropylcyclopropane;3-(2-methylpropyl)oxetane;3-(2-methylpropyl)oxolane;1,1,1-trifluoro-3-methylbutane;N,N,3-trimethylbutan-1-amine?
The InChIKey is QRFOCSYWUFDZCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O.C7H17N.C7H14O.C7H14.C7H16.C6H14O.C6H14.C5H9F3.C5H10O.C5H12.C4H10/c1-7(2)5-8-3-4-9-6-8;1-7(2)5-6-8(3)4;1-6(2)3-7-4-8-5-7;1-6(2)5-7-3-4-7;1-4-5-6-7(2)3;1-6(2)4-5-7-3;1-5(2)6(3)4;1-4(2)3-5(6,7)8;1-4(2)5(3)6;1-4-5(2)3;1-4(2)3/h7-8H,3-6H2,1-2H3;7H,5-6H2,1-4H3;6-7H,3-5H2,1-2H3;6-7H,3-5H2,1-2H3;7H,4-6H2,1-3H3;6H,4-5H2,1-3H3;5-6H,1-4H3;4H,3H2,1-2H3;4H,1-3H3;5H,4H2,1-3H3;4H,1-3H3.
What are the key properties of 2,3-dimethylbutane;1-methoxy-3-methylbutane;2-methylbutane;3-methylbutan-2-one;2-methylhexane;2-methylpropane;2-methylpropylcyclopropane;3-(2-methylpropyl)oxetane;3-(2-methylpropyl)oxolane;1,1,1-trifluoro-3-methylbutane;N,N,3-trimethylbutan-1-amine?
2,3-dimethylbutane;1-methoxy-3-methylbutane;2-methylbutane;3-methylbutan-2-one;2-methylhexane;2-methylpropane;2-methylpropylcyclopropane;3-(2-methylpropyl)oxetane;3-(2-methylpropyl)oxolane;1,1,1-trifluoro-3-methylbutane;N,N,3-trimethylbutan-1-amine has a molecular weight of 1086.90 g/mol, XLogP of 22.14, 19 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethylbutane;1-methoxy-3-methylbutane;2-methylbutane;3-methylbutan-2-one;2-methylhexane;2-methylpropane;2-methylpropylcyclopropane;3-(2-methylpropyl)oxetane;3-(2-methylpropyl)oxolane;1,1,1-trifluoro-3-methylbutane;N,N,3-trimethylbutan-1-amine is sourced from PubChem (CID 167651770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).