2-(aminomethyl)-N,N-dibutyl-4,4-dimethylpentanamide

C16H34N2O — CID 107471112

IUPAC2-(aminomethyl)-N,N-dibutyl-4,4-dimethylpentanamide
SMILESCCCCN(CCCC)C(=O)C(CN)CC(C)(C)C
InChIInChI=1S/C16H34N2O/c1-6-8-10-18(11-9-7-2)15(19)14(13-17)12-16(3,4)5/h14H,6-13,17H2,1-5H3
InChIKeyBQIRKXKLISMSLM-UHFFFAOYSA-N
MW270.46 g/mol
LogP3.43
Rot. Bonds9

About 2-(aminomethyl)-N,N-dibutyl-4,4-dimethylpentanamide

2-(aminomethyl)-N,N-dibutyl-4,4-dimethylpentanamide (PubChem CID 107471112) has the molecular formula C16H34N2O and a molecular weight of 270.46 g/mol. Its IUPAC name is 2-(aminomethyl)-N,N-dibutyl-4,4-dimethylpentanamide.

Molecular Properties

Compound Name2-(aminomethyl)-N,N-dibutyl-4,4-dimethylpentanamide
PubChem CID107471112
Molecular FormulaC16H34N2O
Molecular Weight270.46 g/mol
Exact Mass270.27
IUPAC Name2-(aminomethyl)-N,N-dibutyl-4,4-dimethylpentanamide
SMILESCCCCN(CCCC)C(=O)C(CN)CC(C)(C)C
InChIInChI=1S/C16H34N2O/c1-6-8-10-18(11-9-7-2)15(19)14(13-17)12-16(3,4)5/h14H,6-13,17H2,1-5H3
InChIKeyBQIRKXKLISMSLM-UHFFFAOYSA-N
XLogP3.43
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.46
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(aminomethyl)-N-butyl-4,4-dimethyl-N-(2,2,2-trifluoroethyl)pentanamide
CID 107471569
2-(aminomethyl)-N-butyl-N,4,4-trimethylpentanamide
CID 107470989
2-(aminomethyl)-N-ethyl-N-(3-hydroxypropyl)-4,4-dimethylpentanamide
CID 107472719
2-(aminomethyl)-N,N-bis(2-cyanoethyl)-4,4-dimethylpentanamide
CID 107471659
2-(aminomethyl)-N-benzyl-4,4-dimethyl-N-propylpentanamide
CID 107471232
2-tert-butyl-N,N-didodecyl-4,4-dimethylpentanamide
CID 89240534
2-(aminomethyl)-N-(2-hydroxyethyl)-4,4-dimethyl-N-(2,2,2-trifluoroethyl)pentanamide
CID 107471673
2-(aminomethyl)-N-[2-(dimethylamino)ethyl]-4,4-dimethyl-N-(2-methylpropyl)pentanamide
CID 107471656
(2R)-2-amino-N,N-dibutylpentanamide
CID 103793770
2-(aminomethyl)-N-benzyl-N-ethyl-4,4-dimethylpentanamide
CID 107471113
2-[[2-(aminomethyl)-4,4-dimethylpentanoyl]-(2,2,2-trifluoroethyl)amino]acetic acid
CID 107472383
2-(aminomethyl)-N,4,4-trimethyl-N-(4-methylpentan-2-yl)pentanamide
CID 107471541

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N,N-dibutyl-4,4-dimethylpentanamide?
The IUPAC name of 2-(aminomethyl)-N,N-dibutyl-4,4-dimethylpentanamide (CID 107471112) is 2-(aminomethyl)-N,N-dibutyl-4,4-dimethylpentanamide.
What is the SMILES notation for 2-(aminomethyl)-N,N-dibutyl-4,4-dimethylpentanamide?
The canonical SMILES for 2-(aminomethyl)-N,N-dibutyl-4,4-dimethylpentanamide is CCCCN(CCCC)C(=O)C(CN)CC(C)(C)C.
What is the InChIKey of 2-(aminomethyl)-N,N-dibutyl-4,4-dimethylpentanamide?
The InChIKey is BQIRKXKLISMSLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N2O/c1-6-8-10-18(11-9-7-2)15(19)14(13-17)12-16(3,4)5/h14H,6-13,17H2,1-5H3.
What are the key properties of 2-(aminomethyl)-N,N-dibutyl-4,4-dimethylpentanamide?
2-(aminomethyl)-N,N-dibutyl-4,4-dimethylpentanamide has a molecular weight of 270.46 g/mol, XLogP of 3.43, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N,N-dibutyl-4,4-dimethylpentanamide is sourced from PubChem (CID 107471112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).