6-amino-N-butan-2-yl-N-butyl-4,4-dimethylhexanamide

C16H34N2O — CID 65290924

IUPAC6-amino-N-butan-2-yl-N-butyl-4,4-dimethylhexanamide
SMILESCCCCN(C(=O)CCC(C)(C)CCN)C(C)CC
InChIInChI=1S/C16H34N2O/c1-6-8-13-18(14(3)7-2)15(19)9-10-16(4,5)11-12-17/h14H,6-13,17H2,1-5H3
InChIKeyJSCMFQRHKTVRIS-UHFFFAOYSA-N
MW270.46 g/mol
LogP3.57
Rot. Bonds10

About 6-amino-N-butan-2-yl-N-butyl-4,4-dimethylhexanamide

6-amino-N-butan-2-yl-N-butyl-4,4-dimethylhexanamide (PubChem CID 65290924) has the molecular formula C16H34N2O and a molecular weight of 270.46 g/mol. Its IUPAC name is 6-amino-N-butan-2-yl-N-butyl-4,4-dimethylhexanamide.

Molecular Properties

Compound Name6-amino-N-butan-2-yl-N-butyl-4,4-dimethylhexanamide
PubChem CID65290924
Molecular FormulaC16H34N2O
Molecular Weight270.46 g/mol
Exact Mass270.27
IUPAC Name6-amino-N-butan-2-yl-N-butyl-4,4-dimethylhexanamide
SMILESCCCCN(C(=O)CCC(C)(C)CCN)C(C)CC
InChIInChI=1S/C16H34N2O/c1-6-8-13-18(14(3)7-2)15(19)9-10-16(4,5)11-12-17/h14H,6-13,17H2,1-5H3
InChIKeyJSCMFQRHKTVRIS-UHFFFAOYSA-N
XLogP3.57
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.46
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-amino-N-ethyl-4,4-dimethyl-N-propan-2-ylhexanamide
CID 65292760
6-amino-N-butyl-N-(2-hydroxyethyl)-4,4-dimethylhexanamide
CID 65290826
6-amino-N-butyl-4,4-dimethyl-N-phenylhexanamide
CID 65291538
5-[butan-2-yl(butyl)amino]-5-oxopentanoic acid
CID 60662142
10-amino-8,8-dimethyldecan-5-one
CID 116574751
5-bromo-N-butan-2-yl-N-butylpentanamide
CID 107909392
3-amino-N-butan-2-yl-N-butyl-2,2,3-trimethylbutanamide
CID 65269662
4-amino-N-butan-2-yl-N-ethylbutanamide
CID 43274608
3-amino-N-butan-2-yl-N-ethylpropanamide
CID 43274458
N-(3-aminopropyl)-N-propan-2-ylbutanamide
CID 43136655
6-amino-N-(1-cyclopropylethyl)-4,4-dimethyl-N-(2,2,2-trifluoroethyl)hexanamide
CID 65290581
pentyl 6-amino-4,4-dimethylhexanoate
CID 65285428

Frequently Asked Questions

What is the IUPAC name of 6-amino-N-butan-2-yl-N-butyl-4,4-dimethylhexanamide?
The IUPAC name of 6-amino-N-butan-2-yl-N-butyl-4,4-dimethylhexanamide (CID 65290924) is 6-amino-N-butan-2-yl-N-butyl-4,4-dimethylhexanamide.
What is the SMILES notation for 6-amino-N-butan-2-yl-N-butyl-4,4-dimethylhexanamide?
The canonical SMILES for 6-amino-N-butan-2-yl-N-butyl-4,4-dimethylhexanamide is CCCCN(C(=O)CCC(C)(C)CCN)C(C)CC.
What is the InChIKey of 6-amino-N-butan-2-yl-N-butyl-4,4-dimethylhexanamide?
The InChIKey is JSCMFQRHKTVRIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N2O/c1-6-8-13-18(14(3)7-2)15(19)9-10-16(4,5)11-12-17/h14H,6-13,17H2,1-5H3.
What are the key properties of 6-amino-N-butan-2-yl-N-butyl-4,4-dimethylhexanamide?
6-amino-N-butan-2-yl-N-butyl-4,4-dimethylhexanamide has a molecular weight of 270.46 g/mol, XLogP of 3.57, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-N-butan-2-yl-N-butyl-4,4-dimethylhexanamide is sourced from PubChem (CID 65290924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).