2,3-dimethyl-4-[2,3,3-trimethyl-5-[(2-methylpropan-2-yl)oxy]pentan-2-yl]oxybutan-2-amine

C18H39NO2 — CID 89018610

IUPAC2,3-dimethyl-4-[2,3,3-trimethyl-5-[(2-methylpropan-2-yl)oxy]pentan-2-yl]oxybutan-2-amine
SMILESCC(COC(C)(C)C(C)(C)CCOC(C)(C)C)C(C)(C)N
InChIInChI=1S/C18H39NO2/c1-14(17(7,8)19)13-21-18(9,10)16(5,6)11-12-20-15(2,3)4/h14H,11-13,19H2,1-10H3
InChIKeyCZNAOAKVOWEYPI-UHFFFAOYSA-N
MW301.52 g/mol
LogP4.39
Rot. Bonds8

About 2,3-dimethyl-4-[2,3,3-trimethyl-5-[(2-methylpropan-2-yl)oxy]pentan-2-yl]oxybutan-2-amine

2,3-dimethyl-4-[2,3,3-trimethyl-5-[(2-methylpropan-2-yl)oxy]pentan-2-yl]oxybutan-2-amine (PubChem CID 89018610) has the molecular formula C18H39NO2 and a molecular weight of 301.52 g/mol. Its IUPAC name is 2,3-dimethyl-4-[2,3,3-trimethyl-5-[(2-methylpropan-2-yl)oxy]pentan-2-yl]oxybutan-2-amine.

Molecular Properties

Compound Name2,3-dimethyl-4-[2,3,3-trimethyl-5-[(2-methylpropan-2-yl)oxy]pentan-2-yl]oxybutan-2-amine
PubChem CID89018610
Molecular FormulaC18H39NO2
Molecular Weight301.52 g/mol
Exact Mass301.30
IUPAC Name2,3-dimethyl-4-[2,3,3-trimethyl-5-[(2-methylpropan-2-yl)oxy]pentan-2-yl]oxybutan-2-amine
SMILESCC(COC(C)(C)C(C)(C)CCOC(C)(C)C)C(C)(C)N
InChIInChI=1S/C18H39NO2/c1-14(17(7,8)19)13-21-18(9,10)16(5,6)11-12-20-15(2,3)4/h14H,11-13,19H2,1-10H3
InChIKeyCZNAOAKVOWEYPI-UHFFFAOYSA-N
XLogP4.39
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.52
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2,3-dimethyl-4-[2,3,3-trimethyl-5-[(2-methylpropan-2-yl)oxy]pentan-2-yl]oxybutan-2-amine with MolForge

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Related Compounds

4-(3-amino-2,3-dimethylbutoxy)-3,4-dimethyl-1-[(2-methylpropan-2-yl)oxy]pentan-3-amine
CID 131965733
4-[5-[5-(3-amino-2-methylbutan-2-yl)oxy-2,3,3,4-tetramethylpentan-2-yl]oxy-2,3,3-trimethylpentan-2-yl]oxy-2,3-dimethylbutan-2-amine
CID 175624779
4-[4-[4-(3-amino-2,3-dimethylbutoxy)-3,3,4-trimethylpentoxy]-2,3,3-trimethylpentoxy]-4-methylpentan-2-amine
CID 89130713
2-[[2,3-dimethyl-4-[2,3,3-trimethyl-5-[(2-methylpropan-2-yl)oxy]pentan-2-yl]oxybutan-2-yl]carbamoylamino]ethyl 2-methylprop-2-enoate
CID 88941520
N-[4-[4-[4-(3-amino-2,3-dimethylbutoxy)-3,3,4-trimethylpentoxy]-2,3,3,4-tetramethylpentoxy]-4-methylpentan-2-yl]-3,3,4-trifluoro-2,2,4-trimethylpentanamide
CID 129140644
2-methyl-4-[2,3,3,4-tetramethyl-5-(2,3,3-trimethyl-5-propan-2-yloxypentan-2-yl)oxypentan-2-yl]oxybutan-2-ol
CID 90349773
5-(3,3-dimethylbutoxy)-3-ethyl-2,3,5-trimethyl-1-[2,3,3-trimethyl-4-[(2-methylpropan-2-yl)oxy]butan-2-yl]oxyhexane
CID 123287031
4-amino-2-(3-amino-2,3-dimethylbutoxy)-3-methylbutane-2-thiol
CID 130217524
1-[3,3-dimethyl-5-[(2-methylpropan-2-yl)oxy]pentan-2-yl]oxy-2,3-dimethylpentan-3-amine
CID 89103507
4-[2-[4-(4-methoxy-2-methylbutan-2-yl)oxy-2-methylbutan-2-yl]oxy-4-methyl-4-[2-methyl-4-(2-methyl-4-propan-2-yloxybutan-2-yl)oxybutan-2-yl]oxypentoxy]-3,3,4-trimethyl-1-[2-methyl-4-[(2-methylpropan-2-yl)oxy]butan-2-yl]oxypentane
CID 138534237
3,3-dimethyl-1-[(2-methylpropan-2-yl)oxy]butane
CID 546092
2,4-dimethyl-2-[2-methyl-4-[(2-methylpropan-2-yl)oxy]butan-2-yl]oxypentane
CID 123352444

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-4-[2,3,3-trimethyl-5-[(2-methylpropan-2-yl)oxy]pentan-2-yl]oxybutan-2-amine?
The IUPAC name of 2,3-dimethyl-4-[2,3,3-trimethyl-5-[(2-methylpropan-2-yl)oxy]pentan-2-yl]oxybutan-2-amine (CID 89018610) is 2,3-dimethyl-4-[2,3,3-trimethyl-5-[(2-methylpropan-2-yl)oxy]pentan-2-yl]oxybutan-2-amine.
What is the SMILES notation for 2,3-dimethyl-4-[2,3,3-trimethyl-5-[(2-methylpropan-2-yl)oxy]pentan-2-yl]oxybutan-2-amine?
The canonical SMILES for 2,3-dimethyl-4-[2,3,3-trimethyl-5-[(2-methylpropan-2-yl)oxy]pentan-2-yl]oxybutan-2-amine is CC(COC(C)(C)C(C)(C)CCOC(C)(C)C)C(C)(C)N.
What is the InChIKey of 2,3-dimethyl-4-[2,3,3-trimethyl-5-[(2-methylpropan-2-yl)oxy]pentan-2-yl]oxybutan-2-amine?
The InChIKey is CZNAOAKVOWEYPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H39NO2/c1-14(17(7,8)19)13-21-18(9,10)16(5,6)11-12-20-15(2,3)4/h14H,11-13,19H2,1-10H3.
What are the key properties of 2,3-dimethyl-4-[2,3,3-trimethyl-5-[(2-methylpropan-2-yl)oxy]pentan-2-yl]oxybutan-2-amine?
2,3-dimethyl-4-[2,3,3-trimethyl-5-[(2-methylpropan-2-yl)oxy]pentan-2-yl]oxybutan-2-amine has a molecular weight of 301.52 g/mol, XLogP of 4.39, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-4-[2,3,3-trimethyl-5-[(2-methylpropan-2-yl)oxy]pentan-2-yl]oxybutan-2-amine is sourced from PubChem (CID 89018610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).