4-amino-N-butyl-N,2-dimethylcyclohexane-1-carboxamide

C13H26N2O — CID 62781325

IUPAC4-amino-N-butyl-N,2-dimethylcyclohexane-1-carboxamide
SMILESCCCCN(C)C(=O)C1CCC(N)CC1C
InChIInChI=1S/C13H26N2O/c1-4-5-8-15(3)13(16)12-7-6-11(14)9-10(12)2/h10-12H,4-9,14H2,1-3H3
InChIKeyIBHVZSKMKLAYGM-UHFFFAOYSA-N
MW226.36 g/mol
LogP2.01
Rot. Bonds4

About 4-amino-N-butyl-N,2-dimethylcyclohexane-1-carboxamide

4-amino-N-butyl-N,2-dimethylcyclohexane-1-carboxamide (PubChem CID 62781325) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is 4-amino-N-butyl-N,2-dimethylcyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-amino-N-butyl-N,2-dimethylcyclohexane-1-carboxamide
PubChem CID62781325
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC Name4-amino-N-butyl-N,2-dimethylcyclohexane-1-carboxamide
SMILESCCCCN(C)C(=O)C1CCC(N)CC1C
InChIInChI=1S/C13H26N2O/c1-4-5-8-15(3)13(16)12-7-6-11(14)9-10(12)2/h10-12H,4-9,14H2,1-3H3
InChIKeyIBHVZSKMKLAYGM-UHFFFAOYSA-N
XLogP2.01
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-amino-N-[2-(dimethylamino)ethyl]-N,2-dimethylcyclohexane-1-carboxamide
CID 63727080
2-amino-N-butyl-N-methylcyclopropane-1-carboxamide
CID 114995245
2-amino-N-butyl-N,3-dimethylcyclohexane-1-carboxamide
CID 62781010
4-amino-2-methyl-N-pentyl-N-propan-2-ylcyclohexane-1-carboxamide
CID 62782228
4-amino-N,2-dimethyl-N-[2-oxo-2-(propylamino)ethyl]cyclohexane-1-carboxamide
CID 62781743
4-amino-N,2-dimethyl-N-pentan-3-ylcyclohexane-1-carboxamide
CID 62783517
5-amino-N,2,4-trimethyl-N-propylcyclohexane-1-carboxamide
CID 102706518
3-amino-N-methyl-N-propylcyclopentane-1-carboxamide
CID 66031475
4-amino-N,2-dimethyl-N-(3-methylcyclohexyl)cyclohexane-1-carboxamide
CID 62782752
4-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]-N,2-dimethylcyclohexane-1-carboxamide
CID 79312799
4-amino-N-(2-bicyclo[2.2.1]heptanylmethyl)-N,2-dimethylcyclohexane-1-carboxamide
CID 63684313
N-(3-aminopropyl)-N,2-dimethylcyclopentane-1-carboxamide
CID 107174467

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-butyl-N,2-dimethylcyclohexane-1-carboxamide?
The IUPAC name of 4-amino-N-butyl-N,2-dimethylcyclohexane-1-carboxamide (CID 62781325) is 4-amino-N-butyl-N,2-dimethylcyclohexane-1-carboxamide.
What is the SMILES notation for 4-amino-N-butyl-N,2-dimethylcyclohexane-1-carboxamide?
The canonical SMILES for 4-amino-N-butyl-N,2-dimethylcyclohexane-1-carboxamide is CCCCN(C)C(=O)C1CCC(N)CC1C.
What is the InChIKey of 4-amino-N-butyl-N,2-dimethylcyclohexane-1-carboxamide?
The InChIKey is IBHVZSKMKLAYGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-4-5-8-15(3)13(16)12-7-6-11(14)9-10(12)2/h10-12H,4-9,14H2,1-3H3.
What are the key properties of 4-amino-N-butyl-N,2-dimethylcyclohexane-1-carboxamide?
4-amino-N-butyl-N,2-dimethylcyclohexane-1-carboxamide has a molecular weight of 226.36 g/mol, XLogP of 2.01, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-butyl-N,2-dimethylcyclohexane-1-carboxamide is sourced from PubChem (CID 62781325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).