N-[[1-(3,4-dichlorophenyl)cyclopent-3-en-1-yl]methyl]cyclopropanamine

C15H17Cl2N — CID 65353099

IUPACN-[[1-(3,4-dichlorophenyl)cyclopent-3-en-1-yl]methyl]cyclopropanamine
SMILESClc1ccc(C2(CNC3CC3)CC=CC2)cc1Cl
InChIInChI=1S/C15H17Cl2N/c16-13-6-3-11(9-14(13)17)15(7-1-2-8-15)10-18-12-4-5-12/h1-3,6,9,12,18H,4-5,7-8,10H2
InChIKeyDWDCMTFJGNHVEU-UHFFFAOYSA-N
MW282.21 g/mol
LogP4.33
Rot. Bonds4

About N-[[1-(3,4-dichlorophenyl)cyclopent-3-en-1-yl]methyl]cyclopropanamine

N-[[1-(3,4-dichlorophenyl)cyclopent-3-en-1-yl]methyl]cyclopropanamine (PubChem CID 65353099) has the molecular formula C15H17Cl2N and a molecular weight of 282.21 g/mol. Its IUPAC name is N-[[1-(3,4-dichlorophenyl)cyclopent-3-en-1-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[1-(3,4-dichlorophenyl)cyclopent-3-en-1-yl]methyl]cyclopropanamine
PubChem CID65353099
Molecular FormulaC15H17Cl2N
Molecular Weight282.21 g/mol
Exact Mass281.07
IUPAC NameN-[[1-(3,4-dichlorophenyl)cyclopent-3-en-1-yl]methyl]cyclopropanamine
SMILESClc1ccc(C2(CNC3CC3)CC=CC2)cc1Cl
InChIInChI=1S/C15H17Cl2N/c16-13-6-3-11(9-14(13)17)15(7-1-2-8-15)10-18-12-4-5-12/h1-3,6,9,12,18H,4-5,7-8,10H2
InChIKeyDWDCMTFJGNHVEU-UHFFFAOYSA-N
XLogP4.33
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.21
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(3,4-dichlorophenyl)cyclopent-3-en-1-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[1-(3,4-dichlorophenyl)cyclopent-3-en-1-yl]methyl]cyclopropanamine (CID 65353099) is N-[[1-(3,4-dichlorophenyl)cyclopent-3-en-1-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[1-(3,4-dichlorophenyl)cyclopent-3-en-1-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[1-(3,4-dichlorophenyl)cyclopent-3-en-1-yl]methyl]cyclopropanamine is Clc1ccc(C2(CNC3CC3)CC=CC2)cc1Cl.
What is the InChIKey of N-[[1-(3,4-dichlorophenyl)cyclopent-3-en-1-yl]methyl]cyclopropanamine?
The InChIKey is DWDCMTFJGNHVEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17Cl2N/c16-13-6-3-11(9-14(13)17)15(7-1-2-8-15)10-18-12-4-5-12/h1-3,6,9,12,18H,4-5,7-8,10H2.
What are the key properties of N-[[1-(3,4-dichlorophenyl)cyclopent-3-en-1-yl]methyl]cyclopropanamine?
N-[[1-(3,4-dichlorophenyl)cyclopent-3-en-1-yl]methyl]cyclopropanamine has a molecular weight of 282.21 g/mol, XLogP of 4.33, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(3,4-dichlorophenyl)cyclopent-3-en-1-yl]methyl]cyclopropanamine is sourced from PubChem (CID 65353099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).