N-ethyl-N,2-dimethylpropanamide;N-ethyl-N-methylpropan-2-amine;2-methoxypropane;2-methylbutane;methyl 2-methylpropanoate;N-methyl-N-propan-2-ylpropan-2-amine;N,N,2-trimethylpropanamide

C40H92N4O5 — CID 159816249

IUPACN-ethyl-N,2-dimethylpropanamide;N-ethyl-N-methylpropan-2-amine;2-methoxypropane;2-methylbutane;methyl 2-methylpropanoate;N-methyl-N-propan-2-ylpropan-2-amine;N,N,2-trimethylpropanamide
SMILESCC(C)C(=O)N(C)C.CC(C)N(C)C(C)C.CCC(C)C.CCN(C)C(=O)C(C)C.CCN(C)C(C)C.COC(=O)C(C)C.COC(C)C
InChIInChI=1S/C7H15NO.C7H17N.C6H13NO.C6H15N.C5H10O2.C5H12.C4H10O/c1-5-8(4)7(9)6(2)3;1-6(2)8(5)7(3)4;1-5(2)6(8)7(3)4;1-5-7(4)6(2)3;1-4(2)5(6)7-3;1-4-5(2)3;1-4(2)5-3/h6H,5H2,1-4H3;6-7H,1-5H3;5H,1-4H3;6H,5H2,1-4H3;4H,1-3H3;5H,4H2,1-3H3;4H,1-3H3
InChIKeyNLQRCLXQIAVXTC-UHFFFAOYSA-N
MW709.20 g/mol
LogP8.84
Rot. Bonds10

About N-ethyl-N,2-dimethylpropanamide;N-ethyl-N-methylpropan-2-amine;2-methoxypropane;2-methylbutane;methyl 2-methylpropanoate;N-methyl-N-propan-2-ylpropan-2-amine;N,N,2-trimethylpropanamide

N-ethyl-N,2-dimethylpropanamide;N-ethyl-N-methylpropan-2-amine;2-methoxypropane;2-methylbutane;methyl 2-methylpropanoate;N-methyl-N-propan-2-ylpropan-2-amine;N,N,2-trimethylpropanamide (PubChem CID 159816249) has the molecular formula C40H92N4O5 and a molecular weight of 709.20 g/mol. Its IUPAC name is N-ethyl-N,2-dimethylpropanamide;N-ethyl-N-methylpropan-2-amine;2-methoxypropane;2-methylbutane;methyl 2-methylpropanoate;N-methyl-N-propan-2-ylpropan-2-amine;N,N,2-trimethylpropanamide.

Molecular Properties

Compound NameN-ethyl-N,2-dimethylpropanamide;N-ethyl-N-methylpropan-2-amine;2-methoxypropane;2-methylbutane;methyl 2-methylpropanoate;N-methyl-N-propan-2-ylpropan-2-amine;N,N,2-trimethylpropanamide
PubChem CID159816249
Molecular FormulaC40H92N4O5
Molecular Weight709.20 g/mol
Exact Mass708.71
IUPAC NameN-ethyl-N,2-dimethylpropanamide;N-ethyl-N-methylpropan-2-amine;2-methoxypropane;2-methylbutane;methyl 2-methylpropanoate;N-methyl-N-propan-2-ylpropan-2-amine;N,N,2-trimethylpropanamide
SMILESCC(C)C(=O)N(C)C.CC(C)N(C)C(C)C.CCC(C)C.CCN(C)C(=O)C(C)C.CCN(C)C(C)C.COC(=O)C(C)C.COC(C)C
InChIInChI=1S/C7H15NO.C7H17N.C6H13NO.C6H15N.C5H10O2.C5H12.C4H10O/c1-5-8(4)7(9)6(2)3;1-6(2)8(5)7(3)4;1-5(2)6(8)7(3)4;1-5-7(4)6(2)3;1-4(2)5(6)7-3;1-4-5(2)3;1-4(2)5-3/h6H,5H2,1-4H3;6-7H,1-5H3;5H,1-4H3;6H,5H2,1-4H3;4H,1-3H3;5H,4H2,1-3H3;4H,1-3H3
InChIKeyNLQRCLXQIAVXTC-UHFFFAOYSA-N
XLogP8.84
TPSA82.63 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500709.20
LogP ≤ 58.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N,2-dimethylpropanamide;N-ethyl-N-methylpropan-2-amine;2-methoxypropane;2-methylbutane;methyl 2-methylpropanoate;N-methyl-N-propan-2-ylpropan-2-amine;N,N,2-trimethylpropanamide?
The IUPAC name of N-ethyl-N,2-dimethylpropanamide;N-ethyl-N-methylpropan-2-amine;2-methoxypropane;2-methylbutane;methyl 2-methylpropanoate;N-methyl-N-propan-2-ylpropan-2-amine;N,N,2-trimethylpropanamide (CID 159816249) is N-ethyl-N,2-dimethylpropanamide;N-ethyl-N-methylpropan-2-amine;2-methoxypropane;2-methylbutane;methyl 2-methylpropanoate;N-methyl-N-propan-2-ylpropan-2-amine;N,N,2-trimethylpropanamide.
What is the SMILES notation for N-ethyl-N,2-dimethylpropanamide;N-ethyl-N-methylpropan-2-amine;2-methoxypropane;2-methylbutane;methyl 2-methylpropanoate;N-methyl-N-propan-2-ylpropan-2-amine;N,N,2-trimethylpropanamide?
The canonical SMILES for N-ethyl-N,2-dimethylpropanamide;N-ethyl-N-methylpropan-2-amine;2-methoxypropane;2-methylbutane;methyl 2-methylpropanoate;N-methyl-N-propan-2-ylpropan-2-amine;N,N,2-trimethylpropanamide is CC(C)C(=O)N(C)C.CC(C)N(C)C(C)C.CCC(C)C.CCN(C)C(=O)C(C)C.CCN(C)C(C)C.COC(=O)C(C)C.COC(C)C.
What is the InChIKey of N-ethyl-N,2-dimethylpropanamide;N-ethyl-N-methylpropan-2-amine;2-methoxypropane;2-methylbutane;methyl 2-methylpropanoate;N-methyl-N-propan-2-ylpropan-2-amine;N,N,2-trimethylpropanamide?
The InChIKey is NLQRCLXQIAVXTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO.C7H17N.C6H13NO.C6H15N.C5H10O2.C5H12.C4H10O/c1-5-8(4)7(9)6(2)3;1-6(2)8(5)7(3)4;1-5(2)6(8)7(3)4;1-5-7(4)6(2)3;1-4(2)5(6)7-3;1-4-5(2)3;1-4(2)5-3/h6H,5H2,1-4H3;6-7H,1-5H3;5H,1-4H3;6H,5H2,1-4H3;4H,1-3H3;5H,4H2,1-3H3;4H,1-3H3.
What are the key properties of N-ethyl-N,2-dimethylpropanamide;N-ethyl-N-methylpropan-2-amine;2-methoxypropane;2-methylbutane;methyl 2-methylpropanoate;N-methyl-N-propan-2-ylpropan-2-amine;N,N,2-trimethylpropanamide?
N-ethyl-N,2-dimethylpropanamide;N-ethyl-N-methylpropan-2-amine;2-methoxypropane;2-methylbutane;methyl 2-methylpropanoate;N-methyl-N-propan-2-ylpropan-2-amine;N,N,2-trimethylpropanamide has a molecular weight of 709.20 g/mol, XLogP of 8.84, 10 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N,2-dimethylpropanamide;N-ethyl-N-methylpropan-2-amine;2-methoxypropane;2-methylbutane;methyl 2-methylpropanoate;N-methyl-N-propan-2-ylpropan-2-amine;N,N,2-trimethylpropanamide is sourced from PubChem (CID 159816249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).