N-(3-aminopropyl)-N-cyclohexylcycloheptanecarboxamide

C17H32N2O — CID 62586831

IUPACN-(3-aminopropyl)-N-cyclohexylcycloheptanecarboxamide
SMILESNCCCN(C(=O)C1CCCCCC1)C1CCCCC1
InChIInChI=1S/C17H32N2O/c18-13-8-14-19(16-11-6-3-7-12-16)17(20)15-9-4-1-2-5-10-15/h15-16H,1-14,18H2
InChIKeyNWKBSDHKFGNPLS-UHFFFAOYSA-N
MW280.46 g/mol
LogP3.47
Rot. Bonds5

About N-(3-aminopropyl)-N-cyclohexylcycloheptanecarboxamide

N-(3-aminopropyl)-N-cyclohexylcycloheptanecarboxamide (PubChem CID 62586831) has the molecular formula C17H32N2O and a molecular weight of 280.46 g/mol. Its IUPAC name is N-(3-aminopropyl)-N-cyclohexylcycloheptanecarboxamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-N-cyclohexylcycloheptanecarboxamide
PubChem CID62586831
Molecular FormulaC17H32N2O
Molecular Weight280.46 g/mol
Exact Mass280.25
IUPAC NameN-(3-aminopropyl)-N-cyclohexylcycloheptanecarboxamide
SMILESNCCCN(C(=O)C1CCCCCC1)C1CCCCC1
InChIInChI=1S/C17H32N2O/c18-13-8-14-19(16-11-6-3-7-12-16)17(20)15-9-4-1-2-5-10-15/h15-16H,1-14,18H2
InChIKeyNWKBSDHKFGNPLS-UHFFFAOYSA-N
XLogP3.47
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.46
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-aminoethyl)-N-cyclopentylcyclohexanecarboxamide
CID 63754803
N-(3-aminopropyl)-N-cyclohexyloxane-3-carboxamide
CID 55149190
N-(3-aminopropyl)-N-cyclobutyloxane-4-carboxamide
CID 102873819
N-cyclobutyl-N-(3-hydroxypropyl)cyclooctanecarboxamide
CID 102866891
N-(3-aminopropyl)-N-cyclobutyl-4,4-difluorocyclohexane-1-carboxamide
CID 102873906
N-(3-aminopropyl)-N-methylcyclooctanecarboxamide
CID 65019001
N-(2-chloroethyl)-N-cyclopentylcyclohexanecarboxamide
CID 55187406
N-(2-chloroethyl)-N-cyclobutylcyclohexanecarboxamide
CID 102872561
N-cyclopentyl-N-(2-hydroxyethyl)cyclohexanecarboxamide
CID 54994642
3-amino-N-(3-aminopropyl)-N-cyclohexylpropanamide
CID 134484716
N-(3-aminopropyl)-N-cyclopentyl-2,2,3,3-tetramethylcyclopropane-1-carboxamide
CID 66476059
N-(3-aminopropyl)-N-cyclohexyloxolane-2-carboxamide
CID 43136866

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-N-cyclohexylcycloheptanecarboxamide?
The IUPAC name of N-(3-aminopropyl)-N-cyclohexylcycloheptanecarboxamide (CID 62586831) is N-(3-aminopropyl)-N-cyclohexylcycloheptanecarboxamide.
What is the SMILES notation for N-(3-aminopropyl)-N-cyclohexylcycloheptanecarboxamide?
The canonical SMILES for N-(3-aminopropyl)-N-cyclohexylcycloheptanecarboxamide is NCCCN(C(=O)C1CCCCCC1)C1CCCCC1.
What is the InChIKey of N-(3-aminopropyl)-N-cyclohexylcycloheptanecarboxamide?
The InChIKey is NWKBSDHKFGNPLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2O/c18-13-8-14-19(16-11-6-3-7-12-16)17(20)15-9-4-1-2-5-10-15/h15-16H,1-14,18H2.
What are the key properties of N-(3-aminopropyl)-N-cyclohexylcycloheptanecarboxamide?
N-(3-aminopropyl)-N-cyclohexylcycloheptanecarboxamide has a molecular weight of 280.46 g/mol, XLogP of 3.47, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-N-cyclohexylcycloheptanecarboxamide is sourced from PubChem (CID 62586831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).