cis-(1R,2R)-N-(4-aminocyclohexyl)-2-butylcyclopropane-1-carboxamide

C14H26N2O — CID 153443780

IUPACcis-(1R,2R)-N-(4-aminocyclohexyl)-2-butylcyclopropane-1-carboxamide
SMILESCCCC[C@@H]1C[C@H]1C(=O)NC1CCC(N)CC1
InChIInChI=1S/C14H26N2O/c1-2-3-4-10-9-13(10)14(17)16-12-7-5-11(15)6-8-12/h10-13H,2-9,15H2,1H3,(H,16,17)/t10-,11?,12?,13-/m1/s1
InChIKeyJIGLUSHSWDMRAX-IKWCTNDRSA-N
MW238.37 g/mol
LogP2.20
Rot. Bonds5

About cis-(1R,2R)-N-(4-aminocyclohexyl)-2-butylcyclopropane-1-carboxamide

cis-(1R,2R)-N-(4-aminocyclohexyl)-2-butylcyclopropane-1-carboxamide (PubChem CID 153443780) has the molecular formula C14H26N2O and a molecular weight of 238.37 g/mol. Its IUPAC name is cis-(1R,2R)-N-(4-aminocyclohexyl)-2-butylcyclopropane-1-carboxamide.

Molecular Properties

Compound Namecis-(1R,2R)-N-(4-aminocyclohexyl)-2-butylcyclopropane-1-carboxamide
PubChem CID153443780
Molecular FormulaC14H26N2O
Molecular Weight238.37 g/mol
Exact Mass238.20
IUPAC Namecis-(1R,2R)-N-(4-aminocyclohexyl)-2-butylcyclopropane-1-carboxamide
SMILESCCCC[C@@H]1C[C@H]1C(=O)NC1CCC(N)CC1
InChIInChI=1S/C14H26N2O/c1-2-3-4-10-9-13(10)14(17)16-12-7-5-11(15)6-8-12/h10-13H,2-9,15H2,1H3,(H,16,17)/t10-,11?,12?,13-/m1/s1
InChIKeyJIGLUSHSWDMRAX-IKWCTNDRSA-N
XLogP2.20
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-N-(4-ethylcyclohexyl)-2-(hydroxymethyl)cyclopropane-1-carboxamide
CID 58817605
ethyl N-(4-butylcyclohexyl)carbamate
CID 145473547
N-(4-aminocyclohexyl)-2-cyclohexylcyclopropane-1-carboxamide
CID 119474847
2-[(4-propylcyclohexyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 54962940
N-(4-aminocyclohexyl)-2-pentoxyacetamide
CID 119474713
3-amino-4-methyl-N-(4-propylcyclohexyl)cyclohexane-1-carboxamide
CID 62781125
ethyl 2-[(4-aminocyclohexyl)amino]-2-oxoacetate
CID 165449507
5-amino-N-cycloheptyl-2-methylcyclohexane-1-carboxamide
CID 62783163
4-amino-N-cyclopropylcyclohexane-1-carboxamide;hydrochloride
CID 66868284
2-amino-N-(3-ethylcyclohexyl)-5-methylcyclohexane-1-carboxamide
CID 65455115
N-(4-aminocyclohexyl)bicyclo[3.1.0]hexane-6-carboxamide
CID 81478190
N-(4-aminocyclohexyl)cycloheptanecarboxamide;hydrochloride
CID 119478130

Frequently Asked Questions

What is the IUPAC name of cis-(1R,2R)-N-(4-aminocyclohexyl)-2-butylcyclopropane-1-carboxamide?
The IUPAC name of cis-(1R,2R)-N-(4-aminocyclohexyl)-2-butylcyclopropane-1-carboxamide (CID 153443780) is cis-(1R,2R)-N-(4-aminocyclohexyl)-2-butylcyclopropane-1-carboxamide.
What is the SMILES notation for cis-(1R,2R)-N-(4-aminocyclohexyl)-2-butylcyclopropane-1-carboxamide?
The canonical SMILES for cis-(1R,2R)-N-(4-aminocyclohexyl)-2-butylcyclopropane-1-carboxamide is CCCC[C@@H]1C[C@H]1C(=O)NC1CCC(N)CC1.
What is the InChIKey of cis-(1R,2R)-N-(4-aminocyclohexyl)-2-butylcyclopropane-1-carboxamide?
The InChIKey is JIGLUSHSWDMRAX-IKWCTNDRSA-N. The full InChI is InChI=1S/C14H26N2O/c1-2-3-4-10-9-13(10)14(17)16-12-7-5-11(15)6-8-12/h10-13H,2-9,15H2,1H3,(H,16,17)/t10-,11?,12?,13-/m1/s1.
What are the key properties of cis-(1R,2R)-N-(4-aminocyclohexyl)-2-butylcyclopropane-1-carboxamide?
cis-(1R,2R)-N-(4-aminocyclohexyl)-2-butylcyclopropane-1-carboxamide has a molecular weight of 238.37 g/mol, XLogP of 2.20, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2R)-N-(4-aminocyclohexyl)-2-butylcyclopropane-1-carboxamide is sourced from PubChem (CID 153443780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).