2-(aminomethyl)-N-(2,6-dimethylpiperidin-1-yl)-4,4-dimethylpentanamide

C15H31N3O — CID 107472618

IUPAC2-(aminomethyl)-N-(2,6-dimethylpiperidin-1-yl)-4,4-dimethylpentanamide
SMILESCC1CCCC(C)N1NC(=O)C(CN)CC(C)(C)C
InChIInChI=1S/C15H31N3O/c1-11-7-6-8-12(2)18(11)17-14(19)13(10-16)9-15(3,4)5/h11-13H,6-10,16H2,1-5H3,(H,17,19)
InChIKeyFMNXVIATKYBCCD-UHFFFAOYSA-N
MW269.43 g/mol
LogP2.29
Rot. Bonds4

About 2-(aminomethyl)-N-(2,6-dimethylpiperidin-1-yl)-4,4-dimethylpentanamide

2-(aminomethyl)-N-(2,6-dimethylpiperidin-1-yl)-4,4-dimethylpentanamide (PubChem CID 107472618) has the molecular formula C15H31N3O and a molecular weight of 269.43 g/mol. Its IUPAC name is 2-(aminomethyl)-N-(2,6-dimethylpiperidin-1-yl)-4,4-dimethylpentanamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-(2,6-dimethylpiperidin-1-yl)-4,4-dimethylpentanamide
PubChem CID107472618
Molecular FormulaC15H31N3O
Molecular Weight269.43 g/mol
Exact Mass269.25
IUPAC Name2-(aminomethyl)-N-(2,6-dimethylpiperidin-1-yl)-4,4-dimethylpentanamide
SMILESCC1CCCC(C)N1NC(=O)C(CN)CC(C)(C)C
InChIInChI=1S/C15H31N3O/c1-11-7-6-8-12(2)18(11)17-14(19)13(10-16)9-15(3,4)5/h11-13H,6-10,16H2,1-5H3,(H,17,19)
InChIKeyFMNXVIATKYBCCD-UHFFFAOYSA-N
XLogP2.29
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.43
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[2-(aminomethyl)-4,4-dimethylpentanoyl]amino]cyclohexane-1-carboxylic acid
CID 107472105
2-(aminomethyl)-N-[(1S,2S)-2-hydroxycyclohexyl]-4,4-dimethylpentanamide
CID 107472961
2-amino-N-(2,6-dimethylpiperidin-1-yl)-4-methoxybutanamide
CID 83021863
3-(aminomethyl)-N-(2,6-dimethylpiperidin-1-yl)pentanamide
CID 83021752
N-(2,6-dimethylpiperidin-1-yl)-2-hydroxy-2-methylpropanamide
CID 103430329
N-[2-[[2-(aminomethyl)-4,4-dimethylpentanoyl]amino]ethyl]cyclopropanecarboxamide
CID 107472733
2-(aminomethyl)-4,4-dimethyl-N-(8-tricyclo[5.2.1.02,6]decanyl)pentanamide
CID 107471384
2-(aminomethyl)-4,4-dimethyl-N-(1-methylcyclopentyl)pentanamide
CID 107471899
(3S)-3-(aminomethyl)-N-(2,6-dimethylpiperidin-1-yl)-5-methylhexanamide
CID 83020793
2-(aminomethyl)-N-(cyclobutylmethyl)-N,4,4-trimethylpentanamide
CID 107472079
2-(aminomethyl)-N-[1-(hydroxymethyl)-4-methylcyclohexyl]-4,4-dimethylpentanamide
CID 107472051
2-(aminomethyl)-4,4-dimethyl-N-(oxolan-3-yl)pentanamide
CID 107472463

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-(2,6-dimethylpiperidin-1-yl)-4,4-dimethylpentanamide?
The IUPAC name of 2-(aminomethyl)-N-(2,6-dimethylpiperidin-1-yl)-4,4-dimethylpentanamide (CID 107472618) is 2-(aminomethyl)-N-(2,6-dimethylpiperidin-1-yl)-4,4-dimethylpentanamide.
What is the SMILES notation for 2-(aminomethyl)-N-(2,6-dimethylpiperidin-1-yl)-4,4-dimethylpentanamide?
The canonical SMILES for 2-(aminomethyl)-N-(2,6-dimethylpiperidin-1-yl)-4,4-dimethylpentanamide is CC1CCCC(C)N1NC(=O)C(CN)CC(C)(C)C.
What is the InChIKey of 2-(aminomethyl)-N-(2,6-dimethylpiperidin-1-yl)-4,4-dimethylpentanamide?
The InChIKey is FMNXVIATKYBCCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3O/c1-11-7-6-8-12(2)18(11)17-14(19)13(10-16)9-15(3,4)5/h11-13H,6-10,16H2,1-5H3,(H,17,19).
What are the key properties of 2-(aminomethyl)-N-(2,6-dimethylpiperidin-1-yl)-4,4-dimethylpentanamide?
2-(aminomethyl)-N-(2,6-dimethylpiperidin-1-yl)-4,4-dimethylpentanamide has a molecular weight of 269.43 g/mol, XLogP of 2.29, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-(2,6-dimethylpiperidin-1-yl)-4,4-dimethylpentanamide is sourced from PubChem (CID 107472618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).