N-hexan-2-ylcyclohexanecarboxamide

C13H25NO — CID 174494551

IUPACN-hexan-2-ylcyclohexanecarboxamide
SMILESCCCCC(C)NC(=O)C1CCCCC1
InChIInChI=1S/C13H25NO/c1-3-4-8-11(2)14-13(15)12-9-6-5-7-10-12/h11-12H,3-10H2,1-2H3,(H,14,15)
InChIKeyOCCUVIYSBXAENA-UHFFFAOYSA-N
MW211.35 g/mol
LogP3.26
Rot. Bonds5

About N-hexan-2-ylcyclohexanecarboxamide

N-hexan-2-ylcyclohexanecarboxamide (PubChem CID 174494551) has the molecular formula C13H25NO and a molecular weight of 211.35 g/mol. Its IUPAC name is N-hexan-2-ylcyclohexanecarboxamide.

Molecular Properties

Compound NameN-hexan-2-ylcyclohexanecarboxamide
PubChem CID174494551
Molecular FormulaC13H25NO
Molecular Weight211.35 g/mol
Exact Mass211.19
IUPAC NameN-hexan-2-ylcyclohexanecarboxamide
SMILESCCCCC(C)NC(=O)C1CCCCC1
InChIInChI=1S/C13H25NO/c1-3-4-8-11(2)14-13(15)12-9-6-5-7-10-12/h11-12H,3-10H2,1-2H3,(H,14,15)
InChIKeyOCCUVIYSBXAENA-UHFFFAOYSA-N
XLogP3.26
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-heptan-2-ylcyclopentanecarboxamide
CID 5012700
N-pentan-2-ylcyclohexanecarboxamide
CID 19916603
N-butan-2-ylcyclooctanecarboxamide
CID 65022908
6-(cyclohexanecarbonylamino)-2-methylheptanoic acid
CID 65286195
N-heptan-2-yl-4-methylcyclohexane-1-carboxamide
CID 143290950
5-(cyclopentanecarbonylamino)hexanoic acid
CID 82854691
N-(1-aminohexan-2-yl)cyclohexanecarboxamide
CID 80697500
N-pentan-2-ylcyclopropanecarboxamide
CID 43889322
N-(5-aminohexan-2-yl)cyclohexanecarboxamide
CID 134308456
(3R)-3-(cyclohexanecarbonylamino)butanoic acid
CID 51885508
3-(octan-2-ylcarbamoyl)cyclohexane-1-carboxylic acid
CID 63784683
(3S)-N-heptan-2-ylpiperidine-3-carboxamide
CID 81123711

Frequently Asked Questions

What is the IUPAC name of N-hexan-2-ylcyclohexanecarboxamide?
The IUPAC name of N-hexan-2-ylcyclohexanecarboxamide (CID 174494551) is N-hexan-2-ylcyclohexanecarboxamide.
What is the SMILES notation for N-hexan-2-ylcyclohexanecarboxamide?
The canonical SMILES for N-hexan-2-ylcyclohexanecarboxamide is CCCCC(C)NC(=O)C1CCCCC1.
What is the InChIKey of N-hexan-2-ylcyclohexanecarboxamide?
The InChIKey is OCCUVIYSBXAENA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO/c1-3-4-8-11(2)14-13(15)12-9-6-5-7-10-12/h11-12H,3-10H2,1-2H3,(H,14,15).
What are the key properties of N-hexan-2-ylcyclohexanecarboxamide?
N-hexan-2-ylcyclohexanecarboxamide has a molecular weight of 211.35 g/mol, XLogP of 3.26, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-hexan-2-ylcyclohexanecarboxamide is sourced from PubChem (CID 174494551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).