4-amino-4-(hydroxymethyl)-N-(4-methylpentyl)cyclohexane-1-carboxamide

C14H28N2O2 — CID 115151450

IUPAC4-amino-4-(hydroxymethyl)-N-(4-methylpentyl)cyclohexane-1-carboxamide
SMILESCC(C)CCCNC(=O)C1CCC(N)(CO)CC1
InChIInChI=1S/C14H28N2O2/c1-11(2)4-3-9-16-13(18)12-5-7-14(15,10-17)8-6-12/h11-12,17H,3-10,15H2,1-2H3,(H,16,18)
InChIKeyGXIZPKVTASROMT-UHFFFAOYSA-N
MW256.39 g/mol
LogP1.42
Rot. Bonds6

About 4-amino-4-(hydroxymethyl)-N-(4-methylpentyl)cyclohexane-1-carboxamide

4-amino-4-(hydroxymethyl)-N-(4-methylpentyl)cyclohexane-1-carboxamide (PubChem CID 115151450) has the molecular formula C14H28N2O2 and a molecular weight of 256.39 g/mol. Its IUPAC name is 4-amino-4-(hydroxymethyl)-N-(4-methylpentyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-amino-4-(hydroxymethyl)-N-(4-methylpentyl)cyclohexane-1-carboxamide
PubChem CID115151450
Molecular FormulaC14H28N2O2
Molecular Weight256.39 g/mol
Exact Mass256.22
IUPAC Name4-amino-4-(hydroxymethyl)-N-(4-methylpentyl)cyclohexane-1-carboxamide
SMILESCC(C)CCCNC(=O)C1CCC(N)(CO)CC1
InChIInChI=1S/C14H28N2O2/c1-11(2)4-3-9-16-13(18)12-5-7-14(15,10-17)8-6-12/h11-12,17H,3-10,15H2,1-2H3,(H,16,18)
InChIKeyGXIZPKVTASROMT-UHFFFAOYSA-N
XLogP1.42
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 51.42
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

4-(7-methyloctylcarbamoyl)cyclohexane-1-carboxylic acid
CID 107817708
3-(4-methylpentylcarbamoyl)cyclopentane-1-carboxylic acid
CID 103550480
3-amino-N-(4-methylpentyl)cyclobutane-1-carboxamide
CID 115161643
N-[2-[[N'-methyl-N-(4-methylpentyl)carbamimidoyl]amino]ethyl]cyclopropanecarboxamide
CID 111927132
1-amino-N-(4-methylpentyl)cyclobutane-1-carboxamide
CID 81172040
N-(4-methylpentyl)piperidine-3-carboxamide
CID 61043776
4-N-(3-methylbutyl)-1-N-propylcyclohexane-1,4-dicarboxamide
CID 109144333
N-(4-hydroxypentyl)-4-methylcyclohexane-1-carboxamide
CID 107300527
N-(3-methylbutyl)oxane-4-carboxamide
CID 51110017
N-[3-[[amino-(3-methylbutylamino)methylidene]amino]propyl]cyclobutanecarboxamide;hydroiodide
CID 111752297
3-amino-4-methyl-N-(7-methyloctyl)cyclohexane-1-carboxamide
CID 107818268
2-[4,7-bis(carboxymethyl)-10-[2-[[4-(4-methylpentylcarbamoyl)cyclohexyl]methylamino]-2-oxoethyl]-1,4,7,10-tetrazacyclododec-1-yl]acetic acid
CID 171639916

Frequently Asked Questions

What is the IUPAC name of 4-amino-4-(hydroxymethyl)-N-(4-methylpentyl)cyclohexane-1-carboxamide?
The IUPAC name of 4-amino-4-(hydroxymethyl)-N-(4-methylpentyl)cyclohexane-1-carboxamide (CID 115151450) is 4-amino-4-(hydroxymethyl)-N-(4-methylpentyl)cyclohexane-1-carboxamide.
What is the SMILES notation for 4-amino-4-(hydroxymethyl)-N-(4-methylpentyl)cyclohexane-1-carboxamide?
The canonical SMILES for 4-amino-4-(hydroxymethyl)-N-(4-methylpentyl)cyclohexane-1-carboxamide is CC(C)CCCNC(=O)C1CCC(N)(CO)CC1.
What is the InChIKey of 4-amino-4-(hydroxymethyl)-N-(4-methylpentyl)cyclohexane-1-carboxamide?
The InChIKey is GXIZPKVTASROMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O2/c1-11(2)4-3-9-16-13(18)12-5-7-14(15,10-17)8-6-12/h11-12,17H,3-10,15H2,1-2H3,(H,16,18).
What are the key properties of 4-amino-4-(hydroxymethyl)-N-(4-methylpentyl)cyclohexane-1-carboxamide?
4-amino-4-(hydroxymethyl)-N-(4-methylpentyl)cyclohexane-1-carboxamide has a molecular weight of 256.39 g/mol, XLogP of 1.42, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-4-(hydroxymethyl)-N-(4-methylpentyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 115151450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).