1-(aminomethyl)-N-(5-hydroxypentyl)cyclohexane-1-carboxamide

C13H26N2O2 — CID 107317645

IUPAC1-(aminomethyl)-N-(5-hydroxypentyl)cyclohexane-1-carboxamide
SMILESNCC1(C(=O)NCCCCCO)CCCCC1
InChIInChI=1S/C13H26N2O2/c14-11-13(7-3-1-4-8-13)12(17)15-9-5-2-6-10-16/h16H,1-11,14H2,(H,15,17)
InChIKeyLYTHSXBERUGVIH-UHFFFAOYSA-N
MW242.36 g/mol
LogP1.17
Rot. Bonds7

About 1-(aminomethyl)-N-(5-hydroxypentyl)cyclohexane-1-carboxamide

1-(aminomethyl)-N-(5-hydroxypentyl)cyclohexane-1-carboxamide (PubChem CID 107317645) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is 1-(aminomethyl)-N-(5-hydroxypentyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-(aminomethyl)-N-(5-hydroxypentyl)cyclohexane-1-carboxamide
PubChem CID107317645
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC Name1-(aminomethyl)-N-(5-hydroxypentyl)cyclohexane-1-carboxamide
SMILESNCC1(C(=O)NCCCCCO)CCCCC1
InChIInChI=1S/C13H26N2O2/c14-11-13(7-3-1-4-8-13)12(17)15-9-5-2-6-10-16/h16H,1-11,14H2,(H,15,17)
InChIKeyLYTHSXBERUGVIH-UHFFFAOYSA-N
XLogP1.17
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 51.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(aminomethyl)-N-(4-hydroxybutyl)cyclobutane-1-carboxamide
CID 106842065
7-[[1-(aminomethyl)cyclohexanecarbonyl]amino]heptanoic acid
CID 115437669
1-ethyl-N-(5-hydroxypentyl)cyclopentane-1-carboxamide
CID 107318578
1-(aminomethyl)-N-(7-methyloctyl)cyclohexane-1-carboxamide
CID 115437743
4-[[1-(aminomethyl)cyclopentanecarbonyl]amino]butanoic acid
CID 115435094
1-(aminomethyl)-N-(5,5,5-trifluoropentyl)cyclopentane-1-carboxamide
CID 113327212
1-(aminomethyl)-N-(4,4,4-trifluorobutyl)cycloheptane-1-carboxamide
CID 115517722
1-(aminomethyl)-N-(3-cyclopentylpropyl)cycloheptane-1-carboxamide
CID 106011677
1-(aminomethyl)-N-(4-propan-2-yloxybutyl)cyclohexane-1-carboxamide
CID 106011493
1-(aminomethyl)-N-[3-(dimethylamino)propyl]cyclopropane-1-carboxamide
CID 80587383
1-(aminomethyl)-N-(3-methylsulfinylpropyl)cyclopentane-1-carboxamide
CID 115739260
1-(aminomethyl)-N-[3-[methyl(propan-2-yl)amino]propyl]cyclopentane-1-carboxamide
CID 114140196

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-(5-hydroxypentyl)cyclohexane-1-carboxamide?
The IUPAC name of 1-(aminomethyl)-N-(5-hydroxypentyl)cyclohexane-1-carboxamide (CID 107317645) is 1-(aminomethyl)-N-(5-hydroxypentyl)cyclohexane-1-carboxamide.
What is the SMILES notation for 1-(aminomethyl)-N-(5-hydroxypentyl)cyclohexane-1-carboxamide?
The canonical SMILES for 1-(aminomethyl)-N-(5-hydroxypentyl)cyclohexane-1-carboxamide is NCC1(C(=O)NCCCCCO)CCCCC1.
What is the InChIKey of 1-(aminomethyl)-N-(5-hydroxypentyl)cyclohexane-1-carboxamide?
The InChIKey is LYTHSXBERUGVIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2/c14-11-13(7-3-1-4-8-13)12(17)15-9-5-2-6-10-16/h16H,1-11,14H2,(H,15,17).
What are the key properties of 1-(aminomethyl)-N-(5-hydroxypentyl)cyclohexane-1-carboxamide?
1-(aminomethyl)-N-(5-hydroxypentyl)cyclohexane-1-carboxamide has a molecular weight of 242.36 g/mol, XLogP of 1.17, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-(5-hydroxypentyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 107317645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).