N-(4-aminocyclohexyl)-1-benzylcyclopropane-1-carboxamide

C17H24N2O — CID 119477938

IUPACN-(4-aminocyclohexyl)-1-benzylcyclopropane-1-carboxamide
SMILESNC1CCC(NC(=O)C2(Cc3ccccc3)CC2)CC1
InChIInChI=1S/C17H24N2O/c18-14-6-8-15(9-7-14)19-16(20)17(10-11-17)12-13-4-2-1-3-5-13/h1-5,14-15H,6-12,18H2,(H,19,20)
InChIKeyQXMIDZFRXBDEKB-UHFFFAOYSA-N
MW272.39 g/mol
LogP2.40
Rot. Bonds4

About N-(4-aminocyclohexyl)-1-benzylcyclopropane-1-carboxamide

N-(4-aminocyclohexyl)-1-benzylcyclopropane-1-carboxamide (PubChem CID 119477938) has the molecular formula C17H24N2O and a molecular weight of 272.39 g/mol. Its IUPAC name is N-(4-aminocyclohexyl)-1-benzylcyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-(4-aminocyclohexyl)-1-benzylcyclopropane-1-carboxamide
PubChem CID119477938
Molecular FormulaC17H24N2O
Molecular Weight272.39 g/mol
Exact Mass272.19
IUPAC NameN-(4-aminocyclohexyl)-1-benzylcyclopropane-1-carboxamide
SMILESNC1CCC(NC(=O)C2(Cc3ccccc3)CC2)CC1
InChIInChI=1S/C17H24N2O/c18-14-6-8-15(9-7-14)19-16(20)17(10-11-17)12-13-4-2-1-3-5-13/h1-5,14-15H,6-12,18H2,(H,19,20)
InChIKeyQXMIDZFRXBDEKB-UHFFFAOYSA-N
XLogP2.40
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(4-aminocyclohexyl)-1-benzylcyclopropane-1-carboxamide?
The IUPAC name of N-(4-aminocyclohexyl)-1-benzylcyclopropane-1-carboxamide (CID 119477938) is N-(4-aminocyclohexyl)-1-benzylcyclopropane-1-carboxamide.
What is the SMILES notation for N-(4-aminocyclohexyl)-1-benzylcyclopropane-1-carboxamide?
The canonical SMILES for N-(4-aminocyclohexyl)-1-benzylcyclopropane-1-carboxamide is NC1CCC(NC(=O)C2(Cc3ccccc3)CC2)CC1.
What is the InChIKey of N-(4-aminocyclohexyl)-1-benzylcyclopropane-1-carboxamide?
The InChIKey is QXMIDZFRXBDEKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O/c18-14-6-8-15(9-7-14)19-16(20)17(10-11-17)12-13-4-2-1-3-5-13/h1-5,14-15H,6-12,18H2,(H,19,20).
What are the key properties of N-(4-aminocyclohexyl)-1-benzylcyclopropane-1-carboxamide?
N-(4-aminocyclohexyl)-1-benzylcyclopropane-1-carboxamide has a molecular weight of 272.39 g/mol, XLogP of 2.40, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminocyclohexyl)-1-benzylcyclopropane-1-carboxamide is sourced from PubChem (CID 119477938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).