5-amino-N,2,4-trimethyl-N-propylcyclohexane-1-carboxamide

C13H26N2O — CID 102706518

IUPAC5-amino-N,2,4-trimethyl-N-propylcyclohexane-1-carboxamide
SMILESCCCN(C)C(=O)C1CC(N)C(C)CC1C
InChIInChI=1S/C13H26N2O/c1-5-6-15(4)13(16)11-8-12(14)10(3)7-9(11)2/h9-12H,5-8,14H2,1-4H3
InChIKeyLGWYHBKHRMXHOM-UHFFFAOYSA-N
MW226.36 g/mol
LogP1.86
Rot. Bonds3

About 5-amino-N,2,4-trimethyl-N-propylcyclohexane-1-carboxamide

5-amino-N,2,4-trimethyl-N-propylcyclohexane-1-carboxamide (PubChem CID 102706518) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is 5-amino-N,2,4-trimethyl-N-propylcyclohexane-1-carboxamide.

Molecular Properties

Compound Name5-amino-N,2,4-trimethyl-N-propylcyclohexane-1-carboxamide
PubChem CID102706518
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC Name5-amino-N,2,4-trimethyl-N-propylcyclohexane-1-carboxamide
SMILESCCCN(C)C(=O)C1CC(N)C(C)CC1C
InChIInChI=1S/C13H26N2O/c1-5-6-15(4)13(16)11-8-12(14)10(3)7-9(11)2/h9-12H,5-8,14H2,1-4H3
InChIKeyLGWYHBKHRMXHOM-UHFFFAOYSA-N
XLogP1.86
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-amino-N-(3-hydroxybutyl)-N,2,4-trimethylcyclohexane-1-carboxamide
CID 102706923
5-amino-N-(2-amino-2-oxoethyl)-N,2,4-trimethylcyclohexane-1-carboxamide
CID 102706526
5-amino-2,4-dimethyl-N-propan-2-yl-N-propylcyclohexane-1-carboxamide
CID 102706516
5-amino-N-[2-(diethylamino)-2-oxoethyl]-N,2,4-trimethylcyclohexane-1-carboxamide
CID 102706605
5-amino-N,2,4-trimethyl-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide
CID 102706568
2-amino-N-butyl-N-methylcyclopropane-1-carboxamide
CID 114995245
5-amino-N-butyl-N-(2-hydroxyethyl)-2,4-dimethylcyclohexane-1-carboxamide
CID 102706594
5-amino-N,2,4-trimethyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)cyclohexane-1-carboxamide
CID 102706607
cis-(1R,2S)-2-amino-N-methyl-N-propylcycloheptane-1-carboxamide
CID 97051119
4-amino-N-butyl-N,2-dimethylcyclohexane-1-carboxamide
CID 62781325
5-amino-N,2,4-trimethyl-N-[2-(2-methylpropylamino)-2-oxoethyl]cyclohexane-1-carboxamide
CID 102706896
5-amino-N-[2-(dimethylamino)ethyl]-2,4-dimethylcyclohexane-1-carboxamide
CID 102706457

Frequently Asked Questions

What is the IUPAC name of 5-amino-N,2,4-trimethyl-N-propylcyclohexane-1-carboxamide?
The IUPAC name of 5-amino-N,2,4-trimethyl-N-propylcyclohexane-1-carboxamide (CID 102706518) is 5-amino-N,2,4-trimethyl-N-propylcyclohexane-1-carboxamide.
What is the SMILES notation for 5-amino-N,2,4-trimethyl-N-propylcyclohexane-1-carboxamide?
The canonical SMILES for 5-amino-N,2,4-trimethyl-N-propylcyclohexane-1-carboxamide is CCCN(C)C(=O)C1CC(N)C(C)CC1C.
What is the InChIKey of 5-amino-N,2,4-trimethyl-N-propylcyclohexane-1-carboxamide?
The InChIKey is LGWYHBKHRMXHOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-5-6-15(4)13(16)11-8-12(14)10(3)7-9(11)2/h9-12H,5-8,14H2,1-4H3.
What are the key properties of 5-amino-N,2,4-trimethyl-N-propylcyclohexane-1-carboxamide?
5-amino-N,2,4-trimethyl-N-propylcyclohexane-1-carboxamide has a molecular weight of 226.36 g/mol, XLogP of 1.86, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N,2,4-trimethyl-N-propylcyclohexane-1-carboxamide is sourced from PubChem (CID 102706518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).