N-(azetidin-3-ylmethyl)-N-[(3,4-dichlorophenyl)methyl]cyclopentanamine

C16H22Cl2N2 — CID 118713793

IUPACN-(azetidin-3-ylmethyl)-N-[(3,4-dichlorophenyl)methyl]cyclopentanamine
SMILESClc1ccc(CN(CC2CNC2)C2CCCC2)cc1Cl
InChIInChI=1S/C16H22Cl2N2/c17-15-6-5-12(7-16(15)18)10-20(11-13-8-19-9-13)14-3-1-2-4-14/h5-7,13-14,19H,1-4,8-11H2
InChIKeyFGVKRZJRXXZUHI-UHFFFAOYSA-N
MW313.27 g/mol
LogP3.96
Rot. Bonds5

About N-(azetidin-3-ylmethyl)-N-[(3,4-dichlorophenyl)methyl]cyclopentanamine

N-(azetidin-3-ylmethyl)-N-[(3,4-dichlorophenyl)methyl]cyclopentanamine (PubChem CID 118713793) has the molecular formula C16H22Cl2N2 and a molecular weight of 313.27 g/mol. Its IUPAC name is N-(azetidin-3-ylmethyl)-N-[(3,4-dichlorophenyl)methyl]cyclopentanamine.

Molecular Properties

Compound NameN-(azetidin-3-ylmethyl)-N-[(3,4-dichlorophenyl)methyl]cyclopentanamine
PubChem CID118713793
Molecular FormulaC16H22Cl2N2
Molecular Weight313.27 g/mol
Exact Mass312.12
IUPAC NameN-(azetidin-3-ylmethyl)-N-[(3,4-dichlorophenyl)methyl]cyclopentanamine
SMILESClc1ccc(CN(CC2CNC2)C2CCCC2)cc1Cl
InChIInChI=1S/C16H22Cl2N2/c17-15-6-5-12(7-16(15)18)10-20(11-13-8-19-9-13)14-3-1-2-4-14/h5-7,13-14,19H,1-4,8-11H2
InChIKeyFGVKRZJRXXZUHI-UHFFFAOYSA-N
XLogP3.96
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.27
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(azetidin-3-ylmethyl)-N-[(3,4-dichlorophenyl)methyl]cyclopentanamine?
The IUPAC name of N-(azetidin-3-ylmethyl)-N-[(3,4-dichlorophenyl)methyl]cyclopentanamine (CID 118713793) is N-(azetidin-3-ylmethyl)-N-[(3,4-dichlorophenyl)methyl]cyclopentanamine.
What is the SMILES notation for N-(azetidin-3-ylmethyl)-N-[(3,4-dichlorophenyl)methyl]cyclopentanamine?
The canonical SMILES for N-(azetidin-3-ylmethyl)-N-[(3,4-dichlorophenyl)methyl]cyclopentanamine is Clc1ccc(CN(CC2CNC2)C2CCCC2)cc1Cl.
What is the InChIKey of N-(azetidin-3-ylmethyl)-N-[(3,4-dichlorophenyl)methyl]cyclopentanamine?
The InChIKey is FGVKRZJRXXZUHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22Cl2N2/c17-15-6-5-12(7-16(15)18)10-20(11-13-8-19-9-13)14-3-1-2-4-14/h5-7,13-14,19H,1-4,8-11H2.
What are the key properties of N-(azetidin-3-ylmethyl)-N-[(3,4-dichlorophenyl)methyl]cyclopentanamine?
N-(azetidin-3-ylmethyl)-N-[(3,4-dichlorophenyl)methyl]cyclopentanamine has a molecular weight of 313.27 g/mol, XLogP of 3.96, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(azetidin-3-ylmethyl)-N-[(3,4-dichlorophenyl)methyl]cyclopentanamine is sourced from PubChem (CID 118713793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).