2-amino-N-hexan-3-yl-5-methylcyclohexane-1-carboxamide

C14H28N2O — CID 65455479

IUPAC2-amino-N-hexan-3-yl-5-methylcyclohexane-1-carboxamide
SMILESCCCC(CC)NC(=O)C1CC(C)CCC1N
InChIInChI=1S/C14H28N2O/c1-4-6-11(5-2)16-14(17)12-9-10(3)7-8-13(12)15/h10-13H,4-9,15H2,1-3H3,(H,16,17)
InChIKeyPWLVCAPUGDSHNT-UHFFFAOYSA-N
MW240.39 g/mol
LogP2.44
Rot. Bonds5

About 2-amino-N-hexan-3-yl-5-methylcyclohexane-1-carboxamide

2-amino-N-hexan-3-yl-5-methylcyclohexane-1-carboxamide (PubChem CID 65455479) has the molecular formula C14H28N2O and a molecular weight of 240.39 g/mol. Its IUPAC name is 2-amino-N-hexan-3-yl-5-methylcyclohexane-1-carboxamide.

Molecular Properties

Compound Name2-amino-N-hexan-3-yl-5-methylcyclohexane-1-carboxamide
PubChem CID65455479
Molecular FormulaC14H28N2O
Molecular Weight240.39 g/mol
Exact Mass240.22
IUPAC Name2-amino-N-hexan-3-yl-5-methylcyclohexane-1-carboxamide
SMILESCCCC(CC)NC(=O)C1CC(C)CCC1N
InChIInChI=1S/C14H28N2O/c1-4-6-11(5-2)16-14(17)12-9-10(3)7-8-13(12)15/h10-13H,4-9,15H2,1-3H3,(H,16,17)
InChIKeyPWLVCAPUGDSHNT-UHFFFAOYSA-N
XLogP2.44
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-5-methyl-N-pentan-3-ylcyclohexane-1-carboxamide
CID 65456041
2-amino-N-hexan-3-ylcyclopropane-1-carboxamide
CID 114995860
2-amino-5-methyl-N-propan-2-ylcyclohexane-1-carboxamide
CID 65455850
2-amino-5-methyl-N-(3-methylbutan-2-yl)cyclohexane-1-carboxamide
CID 65453766
(1S,6R)-6-(hexan-3-ylcarbamoyl)cyclohex-3-ene-1-carboxylic acid
CID 104962371
2-amino-N-(1-methoxypentan-2-yl)cyclopentane-1-carboxamide
CID 64850676
(2S,4S)-N-hexan-3-yl-2-methylpiperidine-4-carboxamide
CID 120627601
N-heptan-4-yl-4-methylcyclohexane-1-carboxamide
CID 143046395
2-amino-5-methyl-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]cyclohexane-1-carboxamide
CID 65456243
2-amino-N-(2-ethylcyclohexyl)-5-methylcyclohexane-1-carboxamide
CID 65454165
2-amino-5-methyl-N-[2-(3-methylbutoxy)ethyl]cyclohexane-1-carboxamide
CID 65454356
N-[(3S)-hexan-3-yl]oxane-4-carboxamide
CID 170970278

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-hexan-3-yl-5-methylcyclohexane-1-carboxamide?
The IUPAC name of 2-amino-N-hexan-3-yl-5-methylcyclohexane-1-carboxamide (CID 65455479) is 2-amino-N-hexan-3-yl-5-methylcyclohexane-1-carboxamide.
What is the SMILES notation for 2-amino-N-hexan-3-yl-5-methylcyclohexane-1-carboxamide?
The canonical SMILES for 2-amino-N-hexan-3-yl-5-methylcyclohexane-1-carboxamide is CCCC(CC)NC(=O)C1CC(C)CCC1N.
What is the InChIKey of 2-amino-N-hexan-3-yl-5-methylcyclohexane-1-carboxamide?
The InChIKey is PWLVCAPUGDSHNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O/c1-4-6-11(5-2)16-14(17)12-9-10(3)7-8-13(12)15/h10-13H,4-9,15H2,1-3H3,(H,16,17).
What are the key properties of 2-amino-N-hexan-3-yl-5-methylcyclohexane-1-carboxamide?
2-amino-N-hexan-3-yl-5-methylcyclohexane-1-carboxamide has a molecular weight of 240.39 g/mol, XLogP of 2.44, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-hexan-3-yl-5-methylcyclohexane-1-carboxamide is sourced from PubChem (CID 65455479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).