2-(aminomethyl)-N-[(4-hydroxycyclohexyl)methyl]pentanamide

C13H26N2O2 — CID 106135811

IUPAC2-(aminomethyl)-N-[(4-hydroxycyclohexyl)methyl]pentanamide
SMILESCCCC(CN)C(=O)NCC1CCC(O)CC1
InChIInChI=1S/C13H26N2O2/c1-2-3-11(8-14)13(17)15-9-10-4-6-12(16)7-5-10/h10-12,16H,2-9,14H2,1H3,(H,15,17)
InChIKeyNDGHBEQGUNBBLS-UHFFFAOYSA-N
MW242.36 g/mol
LogP1.03
Rot. Bonds6

About 2-(aminomethyl)-N-[(4-hydroxycyclohexyl)methyl]pentanamide

2-(aminomethyl)-N-[(4-hydroxycyclohexyl)methyl]pentanamide (PubChem CID 106135811) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is 2-(aminomethyl)-N-[(4-hydroxycyclohexyl)methyl]pentanamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-[(4-hydroxycyclohexyl)methyl]pentanamide
PubChem CID106135811
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC Name2-(aminomethyl)-N-[(4-hydroxycyclohexyl)methyl]pentanamide
SMILESCCCC(CN)C(=O)NCC1CCC(O)CC1
InChIInChI=1S/C13H26N2O2/c1-2-3-11(8-14)13(17)15-9-10-4-6-12(16)7-5-10/h10-12,16H,2-9,14H2,1H3,(H,15,17)
InChIKeyNDGHBEQGUNBBLS-UHFFFAOYSA-N
XLogP1.03
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 51.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-(aminomethyl)-N-[(4-hydroxycyclohexyl)methyl]-4-methylpentanamide
CID 106135774
2-(aminomethyl)-N-(thiolan-3-ylmethyl)pentanamide
CID 107296139
ethyl 2-amino-3-[(4-hydroxycyclohexyl)methylamino]-3-oxopropanoate
CID 106135415
N-[(4-hydroxycyclohexyl)methyl]-2-methylbutanamide
CID 106123043
2-(aminomethyl)-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pentanamide
CID 79358922
2-(aminomethyl)-N-[(1-methylpyrrolidin-2-yl)methyl]pentanamide
CID 106024201
2-ethyl-N-[(3-hydroxycyclopentyl)methyl]butanamide
CID 103279737
2-ethyl-N-[(3-hydroxycyclopentyl)methyl]hexanamide
CID 103279742
2-amino-N-[(4-hydroxycyclohexyl)methyl]-5-methoxypentanamide
CID 106135403
N-[(4-hydroxycyclohexyl)methyl]-2,3-dimethylbutanamide
CID 106121936
(2S)-2-amino-N-[(4-ethylcyclohexyl)methyl]pentanamide
CID 93389393
N-[(4-hydroxycyclohexyl)methyl]-2-methyl-3-(methylamino)propanamide
CID 106135488

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-[(4-hydroxycyclohexyl)methyl]pentanamide?
The IUPAC name of 2-(aminomethyl)-N-[(4-hydroxycyclohexyl)methyl]pentanamide (CID 106135811) is 2-(aminomethyl)-N-[(4-hydroxycyclohexyl)methyl]pentanamide.
What is the SMILES notation for 2-(aminomethyl)-N-[(4-hydroxycyclohexyl)methyl]pentanamide?
The canonical SMILES for 2-(aminomethyl)-N-[(4-hydroxycyclohexyl)methyl]pentanamide is CCCC(CN)C(=O)NCC1CCC(O)CC1.
What is the InChIKey of 2-(aminomethyl)-N-[(4-hydroxycyclohexyl)methyl]pentanamide?
The InChIKey is NDGHBEQGUNBBLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-2-3-11(8-14)13(17)15-9-10-4-6-12(16)7-5-10/h10-12,16H,2-9,14H2,1H3,(H,15,17).
What are the key properties of 2-(aminomethyl)-N-[(4-hydroxycyclohexyl)methyl]pentanamide?
2-(aminomethyl)-N-[(4-hydroxycyclohexyl)methyl]pentanamide has a molecular weight of 242.36 g/mol, XLogP of 1.03, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-[(4-hydroxycyclohexyl)methyl]pentanamide is sourced from PubChem (CID 106135811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).