1-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]cyclopropane-1-carboxamide;hydrochloride

C17H24Cl2N2O — CID 71184478

IUPAC1-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]cyclopropane-1-carboxamide;hydrochloride
SMILESCl.NCC1(c2cccc(Cl)c2)CCC(C2(C(N)=O)CC2)CC1
InChIInChI=1S/C17H23ClN2O.ClH/c18-14-3-1-2-13(10-14)16(11-19)6-4-12(5-7-16)17(8-9-17)15(20)21;/h1-3,10,12H,4-9,11,19H2,(H2,20,21);1H
InChIKeyYYUREWDTIJMHRA-UHFFFAOYSA-N
MW343.30 g/mol
LogP3.41
Rot. Bonds4

About 1-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]cyclopropane-1-carboxamide;hydrochloride

1-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]cyclopropane-1-carboxamide;hydrochloride (PubChem CID 71184478) has the molecular formula C17H24Cl2N2O and a molecular weight of 343.30 g/mol. Its IUPAC name is 1-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]cyclopropane-1-carboxamide;hydrochloride.

Molecular Properties

Compound Name1-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]cyclopropane-1-carboxamide;hydrochloride
PubChem CID71184478
Molecular FormulaC17H24Cl2N2O
Molecular Weight343.30 g/mol
Exact Mass342.13
IUPAC Name1-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]cyclopropane-1-carboxamide;hydrochloride
SMILESCl.NCC1(c2cccc(Cl)c2)CCC(C2(C(N)=O)CC2)CC1
InChIInChI=1S/C17H23ClN2O.ClH/c18-14-3-1-2-13(10-14)16(11-19)6-4-12(5-7-16)17(8-9-17)15(20)21;/h1-3,10,12H,4-9,11,19H2,(H2,20,21);1H
InChIKeyYYUREWDTIJMHRA-UHFFFAOYSA-N
XLogP3.41
TPSA69.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.30
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]cyclopropane-1-carboxamide;hydrochloride?
The IUPAC name of 1-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]cyclopropane-1-carboxamide;hydrochloride (CID 71184478) is 1-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]cyclopropane-1-carboxamide;hydrochloride.
What is the SMILES notation for 1-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]cyclopropane-1-carboxamide;hydrochloride?
The canonical SMILES for 1-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]cyclopropane-1-carboxamide;hydrochloride is Cl.NCC1(c2cccc(Cl)c2)CCC(C2(C(N)=O)CC2)CC1.
What is the InChIKey of 1-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]cyclopropane-1-carboxamide;hydrochloride?
The InChIKey is YYUREWDTIJMHRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23ClN2O.ClH/c18-14-3-1-2-13(10-14)16(11-19)6-4-12(5-7-16)17(8-9-17)15(20)21;/h1-3,10,12H,4-9,11,19H2,(H2,20,21);1H.
What are the key properties of 1-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]cyclopropane-1-carboxamide;hydrochloride?
1-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]cyclopropane-1-carboxamide;hydrochloride has a molecular weight of 343.30 g/mol, XLogP of 3.41, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]cyclopropane-1-carboxamide;hydrochloride is sourced from PubChem (CID 71184478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).