N-(4-aminocyclohexyl)-N-propylcycloheptanecarboxamide

C17H32N2O — CID 79112456

IUPACN-(4-aminocyclohexyl)-N-propylcycloheptanecarboxamide
SMILESCCCN(C(=O)C1CCCCCC1)C1CCC(N)CC1
InChIInChI=1S/C17H32N2O/c1-2-13-19(16-11-9-15(18)10-12-16)17(20)14-7-5-3-4-6-8-14/h14-16H,2-13,18H2,1H3
InChIKeyUHLBFHMICZHPNW-UHFFFAOYSA-N
MW280.46 g/mol
LogP3.47
Rot. Bonds4

About N-(4-aminocyclohexyl)-N-propylcycloheptanecarboxamide

N-(4-aminocyclohexyl)-N-propylcycloheptanecarboxamide (PubChem CID 79112456) has the molecular formula C17H32N2O and a molecular weight of 280.46 g/mol. Its IUPAC name is N-(4-aminocyclohexyl)-N-propylcycloheptanecarboxamide.

Molecular Properties

Compound NameN-(4-aminocyclohexyl)-N-propylcycloheptanecarboxamide
PubChem CID79112456
Molecular FormulaC17H32N2O
Molecular Weight280.46 g/mol
Exact Mass280.25
IUPAC NameN-(4-aminocyclohexyl)-N-propylcycloheptanecarboxamide
SMILESCCCN(C(=O)C1CCCCCC1)C1CCC(N)CC1
InChIInChI=1S/C17H32N2O/c1-2-13-19(16-11-9-15(18)10-12-16)17(20)14-7-5-3-4-6-8-14/h14-16H,2-13,18H2,1H3
InChIKeyUHLBFHMICZHPNW-UHFFFAOYSA-N
XLogP3.47
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
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-(4-aminocyclohexyl)-N-propylcyclobutanecarboxamide
CID 79111722
N-(4-aminocyclohexyl)-N-ethylcyclobutanecarboxamide
CID 79116436
N-(4-aminocyclohexyl)-2-methyl-N-propylcyclopropane-1-carboxamide
CID 79112448
N-(4-aminocyclohexyl)-2-cyclopentyl-N-propylacetamide
CID 79111500
4-amino-N-cyclopropyl-N-(2-hydroxyethyl)cyclohexane-1-carboxamide
CID 60847434
N-(2-aminoethyl)-N-cyclopentylcyclohexanecarboxamide
CID 63754803
9-amino-N-cyclopropyl-N-propylbicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120989098
N-cyclohexyl-N-ethylcyclobutanecarboxamide
CID 78833458
N-(4-aminocyclohexyl)-2,2,2-trifluoro-N-propylacetamide
CID 79112531
3-[cyclopentanecarbonyl(cyclopropyl)amino]propanoic acid
CID 60845034
N-cyclopentyl-N-(2-hydroxyethyl)cyclohexanecarboxamide
CID 54994642
N-(2-chloroethyl)-N-cyclopentylcyclohexanecarboxamide
CID 55187406

Frequently Asked Questions

What is the IUPAC name of N-(4-aminocyclohexyl)-N-propylcycloheptanecarboxamide?
The IUPAC name of N-(4-aminocyclohexyl)-N-propylcycloheptanecarboxamide (CID 79112456) is N-(4-aminocyclohexyl)-N-propylcycloheptanecarboxamide.
What is the SMILES notation for N-(4-aminocyclohexyl)-N-propylcycloheptanecarboxamide?
The canonical SMILES for N-(4-aminocyclohexyl)-N-propylcycloheptanecarboxamide is CCCN(C(=O)C1CCCCCC1)C1CCC(N)CC1.
What is the InChIKey of N-(4-aminocyclohexyl)-N-propylcycloheptanecarboxamide?
The InChIKey is UHLBFHMICZHPNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2O/c1-2-13-19(16-11-9-15(18)10-12-16)17(20)14-7-5-3-4-6-8-14/h14-16H,2-13,18H2,1H3.
What are the key properties of N-(4-aminocyclohexyl)-N-propylcycloheptanecarboxamide?
N-(4-aminocyclohexyl)-N-propylcycloheptanecarboxamide has a molecular weight of 280.46 g/mol, XLogP of 3.47, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminocyclohexyl)-N-propylcycloheptanecarboxamide is sourced from PubChem (CID 79112456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).