N-(2-aminocyclohexyl)-4-butyl-N-methylcyclohexane-1-carboxamide

C18H34N2O — CID 102639138

IUPACN-(2-aminocyclohexyl)-4-butyl-N-methylcyclohexane-1-carboxamide
SMILESCCCCC1CCC(C(=O)N(C)C2CCCCC2N)CC1
InChIInChI=1S/C18H34N2O/c1-3-4-7-14-10-12-15(13-11-14)18(21)20(2)17-9-6-5-8-16(17)19/h14-17H,3-13,19H2,1-2H3
InChIKeyWGDFFKCWIXTUFV-UHFFFAOYSA-N
MW294.48 g/mol
LogP3.71
Rot. Bonds5

About N-(2-aminocyclohexyl)-4-butyl-N-methylcyclohexane-1-carboxamide

N-(2-aminocyclohexyl)-4-butyl-N-methylcyclohexane-1-carboxamide (PubChem CID 102639138) has the molecular formula C18H34N2O and a molecular weight of 294.48 g/mol. Its IUPAC name is N-(2-aminocyclohexyl)-4-butyl-N-methylcyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-(2-aminocyclohexyl)-4-butyl-N-methylcyclohexane-1-carboxamide
PubChem CID102639138
Molecular FormulaC18H34N2O
Molecular Weight294.48 g/mol
Exact Mass294.27
IUPAC NameN-(2-aminocyclohexyl)-4-butyl-N-methylcyclohexane-1-carboxamide
SMILESCCCCC1CCC(C(=O)N(C)C2CCCCC2N)CC1
InChIInChI=1S/C18H34N2O/c1-3-4-7-14-10-12-15(13-11-14)18(21)20(2)17-9-6-5-8-16(17)19/h14-17H,3-13,19H2,1-2H3
InChIKeyWGDFFKCWIXTUFV-UHFFFAOYSA-N
XLogP3.71
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.48
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2-aminocyclohexyl)-4-butyl-N-methylcyclohexane-1-carboxamide?
The IUPAC name of N-(2-aminocyclohexyl)-4-butyl-N-methylcyclohexane-1-carboxamide (CID 102639138) is N-(2-aminocyclohexyl)-4-butyl-N-methylcyclohexane-1-carboxamide.
What is the SMILES notation for N-(2-aminocyclohexyl)-4-butyl-N-methylcyclohexane-1-carboxamide?
The canonical SMILES for N-(2-aminocyclohexyl)-4-butyl-N-methylcyclohexane-1-carboxamide is CCCCC1CCC(C(=O)N(C)C2CCCCC2N)CC1.
What is the InChIKey of N-(2-aminocyclohexyl)-4-butyl-N-methylcyclohexane-1-carboxamide?
The InChIKey is WGDFFKCWIXTUFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34N2O/c1-3-4-7-14-10-12-15(13-11-14)18(21)20(2)17-9-6-5-8-16(17)19/h14-17H,3-13,19H2,1-2H3.
What are the key properties of N-(2-aminocyclohexyl)-4-butyl-N-methylcyclohexane-1-carboxamide?
N-(2-aminocyclohexyl)-4-butyl-N-methylcyclohexane-1-carboxamide has a molecular weight of 294.48 g/mol, XLogP of 3.71, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminocyclohexyl)-4-butyl-N-methylcyclohexane-1-carboxamide is sourced from PubChem (CID 102639138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).