N-(4-aminocyclohexyl)-3-cyclobutyl-N-methylpropanamide

C14H26N2O — CID 115277537

IUPACN-(4-aminocyclohexyl)-3-cyclobutyl-N-methylpropanamide
SMILESCN(C(=O)CCC1CCC1)C1CCC(N)CC1
InChIInChI=1S/C14H26N2O/c1-16(13-8-6-12(15)7-9-13)14(17)10-5-11-3-2-4-11/h11-13H,2-10,15H2,1H3
InChIKeySSZQIXIWZOCXDI-UHFFFAOYSA-N
MW238.37 g/mol
LogP2.30
Rot. Bonds4

About N-(4-aminocyclohexyl)-3-cyclobutyl-N-methylpropanamide

N-(4-aminocyclohexyl)-3-cyclobutyl-N-methylpropanamide (PubChem CID 115277537) has the molecular formula C14H26N2O and a molecular weight of 238.37 g/mol. Its IUPAC name is N-(4-aminocyclohexyl)-3-cyclobutyl-N-methylpropanamide.

Molecular Properties

Compound NameN-(4-aminocyclohexyl)-3-cyclobutyl-N-methylpropanamide
PubChem CID115277537
Molecular FormulaC14H26N2O
Molecular Weight238.37 g/mol
Exact Mass238.20
IUPAC NameN-(4-aminocyclohexyl)-3-cyclobutyl-N-methylpropanamide
SMILESCN(C(=O)CCC1CCC1)C1CCC(N)CC1
InChIInChI=1S/C14H26N2O/c1-16(13-8-6-12(15)7-9-13)14(17)10-5-11-3-2-4-11/h11-13H,2-10,15H2,1H3
InChIKeySSZQIXIWZOCXDI-UHFFFAOYSA-N
XLogP2.30
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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3-amino-N,N-dimethylcyclohexane-1-carboxamide
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4-amino-N,N-dimethylcyclohexane-1-carboxamide hydrochloride
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Frequently Asked Questions

What is the IUPAC name of N-(4-aminocyclohexyl)-3-cyclobutyl-N-methylpropanamide?
The IUPAC name of N-(4-aminocyclohexyl)-3-cyclobutyl-N-methylpropanamide (CID 115277537) is N-(4-aminocyclohexyl)-3-cyclobutyl-N-methylpropanamide.
What is the SMILES notation for N-(4-aminocyclohexyl)-3-cyclobutyl-N-methylpropanamide?
The canonical SMILES for N-(4-aminocyclohexyl)-3-cyclobutyl-N-methylpropanamide is CN(C(=O)CCC1CCC1)C1CCC(N)CC1.
What is the InChIKey of N-(4-aminocyclohexyl)-3-cyclobutyl-N-methylpropanamide?
The InChIKey is SSZQIXIWZOCXDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O/c1-16(13-8-6-12(15)7-9-13)14(17)10-5-11-3-2-4-11/h11-13H,2-10,15H2,1H3.
What are the key properties of N-(4-aminocyclohexyl)-3-cyclobutyl-N-methylpropanamide?
N-(4-aminocyclohexyl)-3-cyclobutyl-N-methylpropanamide has a molecular weight of 238.37 g/mol, XLogP of 2.30, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminocyclohexyl)-3-cyclobutyl-N-methylpropanamide is sourced from PubChem (CID 115277537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).