4-(hexan-2-ylamino)cyclohexane-1-carboxamide

C13H26N2O — CID 43791674

IUPAC4-(hexan-2-ylamino)cyclohexane-1-carboxamide
SMILESCCCCC(C)NC1CCC(C(N)=O)CC1
InChIInChI=1S/C13H26N2O/c1-3-4-5-10(2)15-12-8-6-11(7-9-12)13(14)16/h10-12,15H,3-9H2,1-2H3,(H2,14,16)
InChIKeyKPRPPAHDDVWAQK-UHFFFAOYSA-N
MW226.36 g/mol
LogP2.20
Rot. Bonds6

About 4-(hexan-2-ylamino)cyclohexane-1-carboxamide

4-(hexan-2-ylamino)cyclohexane-1-carboxamide (PubChem CID 43791674) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is 4-(hexan-2-ylamino)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-(hexan-2-ylamino)cyclohexane-1-carboxamide
PubChem CID43791674
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC Name4-(hexan-2-ylamino)cyclohexane-1-carboxamide
SMILESCCCCC(C)NC1CCC(C(N)=O)CC1
InChIInChI=1S/C13H26N2O/c1-3-4-5-10(2)15-12-8-6-11(7-9-12)13(14)16/h10-12,15H,3-9H2,1-2H3,(H2,14,16)
InChIKeyKPRPPAHDDVWAQK-UHFFFAOYSA-N
XLogP2.20
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-butylcyclohexanecarboxamide
CID 3544722
3-cyclohexyl-N-propan-2-ylpropanamide
CID 4144742
2-amino-N-methylcyclohexane-1-carboxamide
CID 13697510
4-Aminocyclohexane-1-carboxamide
CID 16791739
3-(Piperidin-3-yl)propanamide
CID 22257895
4-amino-N-methylcyclohexane-1-carboxamide hydrochloride
CID 47002288
4-amino-N,N-dimethylcyclohexane-1-carboxamide
CID 57709631
4-amino-N,N-dimethylcyclohexane-1-carboxamide hydrochloride
CID 67541542
N-(2-methylpropyl)cyclohexanecarboxamide
CID 4642219
n-Isopropylcyclohexanecarboxamide
CID 232390
3-amino-N-(propan-2-yl)cyclohexane-1-carboxamide
CID 18071391
rac-(1r,4r)-4-amino-N,N-dimethylcyclohexane-1-carboxamide dihydrochloride
CID 145912961

Frequently Asked Questions

What is the IUPAC name of 4-(hexan-2-ylamino)cyclohexane-1-carboxamide?
The IUPAC name of 4-(hexan-2-ylamino)cyclohexane-1-carboxamide (CID 43791674) is 4-(hexan-2-ylamino)cyclohexane-1-carboxamide.
What is the SMILES notation for 4-(hexan-2-ylamino)cyclohexane-1-carboxamide?
The canonical SMILES for 4-(hexan-2-ylamino)cyclohexane-1-carboxamide is CCCCC(C)NC1CCC(C(N)=O)CC1.
What is the InChIKey of 4-(hexan-2-ylamino)cyclohexane-1-carboxamide?
The InChIKey is KPRPPAHDDVWAQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-3-4-5-10(2)15-12-8-6-11(7-9-12)13(14)16/h10-12,15H,3-9H2,1-2H3,(H2,14,16).
What are the key properties of 4-(hexan-2-ylamino)cyclohexane-1-carboxamide?
4-(hexan-2-ylamino)cyclohexane-1-carboxamide has a molecular weight of 226.36 g/mol, XLogP of 2.20, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(hexan-2-ylamino)cyclohexane-1-carboxamide is sourced from PubChem (CID 43791674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).