2-amino-N,6-dimethyl-N-pentylcyclohexane-1-carboxamide

C14H28N2O — CID 62782009

IUPAC2-amino-N,6-dimethyl-N-pentylcyclohexane-1-carboxamide
SMILESCCCCCN(C)C(=O)C1C(C)CCCC1N
InChIInChI=1S/C14H28N2O/c1-4-5-6-10-16(3)14(17)13-11(2)8-7-9-12(13)15/h11-13H,4-10,15H2,1-3H3
InChIKeyNZRMOWXCUWBJLB-UHFFFAOYSA-N
MW240.39 g/mol
LogP2.40
Rot. Bonds5

About 2-amino-N,6-dimethyl-N-pentylcyclohexane-1-carboxamide

2-amino-N,6-dimethyl-N-pentylcyclohexane-1-carboxamide (PubChem CID 62782009) has the molecular formula C14H28N2O and a molecular weight of 240.39 g/mol. Its IUPAC name is 2-amino-N,6-dimethyl-N-pentylcyclohexane-1-carboxamide.

Molecular Properties

Compound Name2-amino-N,6-dimethyl-N-pentylcyclohexane-1-carboxamide
PubChem CID62782009
Molecular FormulaC14H28N2O
Molecular Weight240.39 g/mol
Exact Mass240.22
IUPAC Name2-amino-N,6-dimethyl-N-pentylcyclohexane-1-carboxamide
SMILESCCCCCN(C)C(=O)C1C(C)CCCC1N
InChIInChI=1S/C14H28N2O/c1-4-5-6-10-16(3)14(17)13-11(2)8-7-9-12(13)15/h11-13H,4-10,15H2,1-3H3
InChIKeyNZRMOWXCUWBJLB-UHFFFAOYSA-N
XLogP2.40
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-amino-N-[2-(dimethylamino)ethyl]-6-methyl-N-propylcyclohexane-1-carboxamide
CID 55114970
2-amino-N-butyl-N,3-dimethylcyclohexane-1-carboxamide
CID 62781010
2-amino-N-[2-(ethylamino)-2-oxoethyl]-N,6-dimethylcyclohexane-1-carboxamide
CID 62781433
2-amino-N-[(1-hydroxycyclopentyl)methyl]-N,6-dimethylcyclohexane-1-carboxamide
CID 114953757
2-amino-N,6-dimethyl-N-(oxan-4-ylmethyl)cyclohexane-1-carboxamide
CID 63707626
2-amino-N-butyl-N-methylcyclopropane-1-carboxamide
CID 114995245
N-(3-aminopropyl)-N,2-dimethylcyclopentane-1-carboxamide
CID 107174467
4-amino-N-butyl-N,2-dimethylcyclohexane-1-carboxamide
CID 62781325
N-(5-aminopentyl)-N-methylbicyclo[3.1.0]hexane-6-carboxamide
CID 107206663
N,6-dimethyl-N-pentylpiperidine-3-carboxamide
CID 43295220
2-amino-N-[3-(diethylamino)propyl]-6-methylcyclohexane-1-carboxamide
CID 55116748
2-[[methyl(pentyl)amino]methyl]cyclopentan-1-amine
CID 62615567

Frequently Asked Questions

What is the IUPAC name of 2-amino-N,6-dimethyl-N-pentylcyclohexane-1-carboxamide?
The IUPAC name of 2-amino-N,6-dimethyl-N-pentylcyclohexane-1-carboxamide (CID 62782009) is 2-amino-N,6-dimethyl-N-pentylcyclohexane-1-carboxamide.
What is the SMILES notation for 2-amino-N,6-dimethyl-N-pentylcyclohexane-1-carboxamide?
The canonical SMILES for 2-amino-N,6-dimethyl-N-pentylcyclohexane-1-carboxamide is CCCCCN(C)C(=O)C1C(C)CCCC1N.
What is the InChIKey of 2-amino-N,6-dimethyl-N-pentylcyclohexane-1-carboxamide?
The InChIKey is NZRMOWXCUWBJLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O/c1-4-5-6-10-16(3)14(17)13-11(2)8-7-9-12(13)15/h11-13H,4-10,15H2,1-3H3.
What are the key properties of 2-amino-N,6-dimethyl-N-pentylcyclohexane-1-carboxamide?
2-amino-N,6-dimethyl-N-pentylcyclohexane-1-carboxamide has a molecular weight of 240.39 g/mol, XLogP of 2.40, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N,6-dimethyl-N-pentylcyclohexane-1-carboxamide is sourced from PubChem (CID 62782009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).