2-(aminomethyl)-4,4-dimethyl-N-(2-oxoazepan-3-yl)pentanamide

C14H27N3O2 — CID 107471324

IUPAC2-(aminomethyl)-4,4-dimethyl-N-(2-oxoazepan-3-yl)pentanamide
SMILESCC(C)(C)CC(CN)C(=O)NC1CCCCNC1=O
InChIInChI=1S/C14H27N3O2/c1-14(2,3)8-10(9-15)12(18)17-11-6-4-5-7-16-13(11)19/h10-11H,4-9,15H2,1-3H3,(H,16,19)(H,17,18)
InChIKeyJQJBIKKCTRKTQK-UHFFFAOYSA-N
MW269.39 g/mol
LogP0.78
Rot. Bonds4

About 2-(aminomethyl)-4,4-dimethyl-N-(2-oxoazepan-3-yl)pentanamide

2-(aminomethyl)-4,4-dimethyl-N-(2-oxoazepan-3-yl)pentanamide (PubChem CID 107471324) has the molecular formula C14H27N3O2 and a molecular weight of 269.39 g/mol. Its IUPAC name is 2-(aminomethyl)-4,4-dimethyl-N-(2-oxoazepan-3-yl)pentanamide.

Molecular Properties

Compound Name2-(aminomethyl)-4,4-dimethyl-N-(2-oxoazepan-3-yl)pentanamide
PubChem CID107471324
Molecular FormulaC14H27N3O2
Molecular Weight269.39 g/mol
Exact Mass269.21
IUPAC Name2-(aminomethyl)-4,4-dimethyl-N-(2-oxoazepan-3-yl)pentanamide
SMILESCC(C)(C)CC(CN)C(=O)NC1CCCCNC1=O
InChIInChI=1S/C14H27N3O2/c1-14(2,3)8-10(9-15)12(18)17-11-6-4-5-7-16-13(11)19/h10-11H,4-9,15H2,1-3H3,(H,16,19)(H,17,18)
InChIKeyJQJBIKKCTRKTQK-UHFFFAOYSA-N
XLogP0.78
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 50.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-2-hydroxy-N-[(3R)-2-oxoazepan-3-yl]propanamide
CID 134570387
(2R)-2-ethyl-N-[(3S)-2-oxoazepan-3-yl]hexanamide
CID 11379810
(2S)-2-amino-N-(2-oxoazepan-3-yl)pentanamide
CID 107568483
3-amino-2,2-dimethyl-N-(2-oxoazepan-3-yl)propanamide
CID 81490080
ethyl N-[(3R)-2-oxoazepan-3-yl]carbamate
CID 10821898
2,2-dimethyl-N-[(3S)-2-oxoazepan-3-yl]butanamide
CID 11322108
3-amino-2,2-dimethyl-N-(2-oxopiperidin-3-yl)propanamide;hydrochloride
CID 119756732
(2S)-2-hydroxy-N-(2-oxopiperidin-3-yl)propanamide
CID 130978731
2-amino-N-(2-oxoazepan-3-yl)-3-phenylpropanamide
CID 43704102
(2S)-2-amino-N-(2-oxoazepan-3-yl)-3-phenylpropanamide
CID 61180000
2-(aminomethyl)-N-[(1S,2S)-2-hydroxycyclohexyl]-4,4-dimethylpentanamide
CID 107472961
(2-oxoazepan-3-yl)carbamic acid
CID 18612606

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-4,4-dimethyl-N-(2-oxoazepan-3-yl)pentanamide?
The IUPAC name of 2-(aminomethyl)-4,4-dimethyl-N-(2-oxoazepan-3-yl)pentanamide (CID 107471324) is 2-(aminomethyl)-4,4-dimethyl-N-(2-oxoazepan-3-yl)pentanamide.
What is the SMILES notation for 2-(aminomethyl)-4,4-dimethyl-N-(2-oxoazepan-3-yl)pentanamide?
The canonical SMILES for 2-(aminomethyl)-4,4-dimethyl-N-(2-oxoazepan-3-yl)pentanamide is CC(C)(C)CC(CN)C(=O)NC1CCCCNC1=O.
What is the InChIKey of 2-(aminomethyl)-4,4-dimethyl-N-(2-oxoazepan-3-yl)pentanamide?
The InChIKey is JQJBIKKCTRKTQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O2/c1-14(2,3)8-10(9-15)12(18)17-11-6-4-5-7-16-13(11)19/h10-11H,4-9,15H2,1-3H3,(H,16,19)(H,17,18).
What are the key properties of 2-(aminomethyl)-4,4-dimethyl-N-(2-oxoazepan-3-yl)pentanamide?
2-(aminomethyl)-4,4-dimethyl-N-(2-oxoazepan-3-yl)pentanamide has a molecular weight of 269.39 g/mol, XLogP of 0.78, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-4,4-dimethyl-N-(2-oxoazepan-3-yl)pentanamide is sourced from PubChem (CID 107471324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).