2-amino-N-[[1-(hydroxymethyl)cyclohexyl]methyl]-5-methoxypentanamide

C14H28N2O3 — CID 103966706

IUPAC2-amino-N-[[1-(hydroxymethyl)cyclohexyl]methyl]-5-methoxypentanamide
SMILESCOCCCC(N)C(=O)NCC1(CO)CCCCC1
InChIInChI=1S/C14H28N2O3/c1-19-9-5-6-12(15)13(18)16-10-14(11-17)7-3-2-4-8-14/h12,17H,2-11,15H2,1H3,(H,16,18)
InChIKeyUGRQSJIVBLJHLK-UHFFFAOYSA-N
MW272.39 g/mol
LogP0.80
Rot. Bonds8

About 2-amino-N-[[1-(hydroxymethyl)cyclohexyl]methyl]-5-methoxypentanamide

2-amino-N-[[1-(hydroxymethyl)cyclohexyl]methyl]-5-methoxypentanamide (PubChem CID 103966706) has the molecular formula C14H28N2O3 and a molecular weight of 272.39 g/mol. Its IUPAC name is 2-amino-N-[[1-(hydroxymethyl)cyclohexyl]methyl]-5-methoxypentanamide.

Molecular Properties

Compound Name2-amino-N-[[1-(hydroxymethyl)cyclohexyl]methyl]-5-methoxypentanamide
PubChem CID103966706
Molecular FormulaC14H28N2O3
Molecular Weight272.39 g/mol
Exact Mass272.21
IUPAC Name2-amino-N-[[1-(hydroxymethyl)cyclohexyl]methyl]-5-methoxypentanamide
SMILESCOCCCC(N)C(=O)NCC1(CO)CCCCC1
InChIInChI=1S/C14H28N2O3/c1-19-9-5-6-12(15)13(18)16-10-14(11-17)7-3-2-4-8-14/h12,17H,2-11,15H2,1H3,(H,16,18)
InChIKeyUGRQSJIVBLJHLK-UHFFFAOYSA-N
XLogP0.80
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 50.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-amino-N-[[1-(2-methoxyethyl)cyclobutyl]methyl]pentanamide
CID 119344547
(2S)-2-amino-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]hexanamide
CID 113357272
1-[(2-amino-5-methoxypentanoyl)amino]cycloheptane-1-carboxylic acid
CID 81089146
3-amino-4-[[1-(hydroxymethyl)cyclohexyl]methylamino]-4-oxobutanoic acid
CID 103966705
2-[[1-(hydroxymethyl)cyclohexyl]methylamino]-N-(3-methoxypropyl)propanamide
CID 103966438
2-amino-5-methoxy-N-(3-methoxypropyl)pentanamide
CID 81081158
(2S)-2-amino-N-[[1-(2-methoxyethyl)cyclopentyl]methyl]-4-methylsulfanylbutanamide
CID 119339904
2-amino-N-(cyanomethyl)-5-methoxypentanamide
CID 81089065
(2S)-2-amino-N-[[1-(hydroxymethyl)cyclopentyl]methyl]propanamide
CID 115360089
2-amino-N-[(1-ethylcyclopentyl)methyl]-3-methoxypropanamide;hydrochloride
CID 120992658
methyl N-[[1-(hydroxymethyl)cyclohexyl]methyl]carbamate
CID 110292599
2-amino-5-methoxy-N-propylpentanamide
CID 81082005

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[[1-(hydroxymethyl)cyclohexyl]methyl]-5-methoxypentanamide?
The IUPAC name of 2-amino-N-[[1-(hydroxymethyl)cyclohexyl]methyl]-5-methoxypentanamide (CID 103966706) is 2-amino-N-[[1-(hydroxymethyl)cyclohexyl]methyl]-5-methoxypentanamide.
What is the SMILES notation for 2-amino-N-[[1-(hydroxymethyl)cyclohexyl]methyl]-5-methoxypentanamide?
The canonical SMILES for 2-amino-N-[[1-(hydroxymethyl)cyclohexyl]methyl]-5-methoxypentanamide is COCCCC(N)C(=O)NCC1(CO)CCCCC1.
What is the InChIKey of 2-amino-N-[[1-(hydroxymethyl)cyclohexyl]methyl]-5-methoxypentanamide?
The InChIKey is UGRQSJIVBLJHLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O3/c1-19-9-5-6-12(15)13(18)16-10-14(11-17)7-3-2-4-8-14/h12,17H,2-11,15H2,1H3,(H,16,18).
What are the key properties of 2-amino-N-[[1-(hydroxymethyl)cyclohexyl]methyl]-5-methoxypentanamide?
2-amino-N-[[1-(hydroxymethyl)cyclohexyl]methyl]-5-methoxypentanamide has a molecular weight of 272.39 g/mol, XLogP of 0.80, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[[1-(hydroxymethyl)cyclohexyl]methyl]-5-methoxypentanamide is sourced from PubChem (CID 103966706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).