N-[[2-chloro-6-(4-ethyl-3-methylpiperazin-1-yl)phenyl]methyl]cyclopropanamine

C17H26ClN3 — CID 63635865

IUPACN-[[2-chloro-6-(4-ethyl-3-methylpiperazin-1-yl)phenyl]methyl]cyclopropanamine
SMILESCCN1CCN(c2cccc(Cl)c2CNC2CC2)CC1C
InChIInChI=1S/C17H26ClN3/c1-3-20-9-10-21(12-13(20)2)17-6-4-5-16(18)15(17)11-19-14-7-8-14/h4-6,13-14,19H,3,7-12H2,1-2H3
InChIKeyWRVCFYSSOVYVEI-UHFFFAOYSA-N
MW307.87 g/mol
LogP3.12
Rot. Bonds5

About N-[[2-chloro-6-(4-ethyl-3-methylpiperazin-1-yl)phenyl]methyl]cyclopropanamine

N-[[2-chloro-6-(4-ethyl-3-methylpiperazin-1-yl)phenyl]methyl]cyclopropanamine (PubChem CID 63635865) has the molecular formula C17H26ClN3 and a molecular weight of 307.87 g/mol. Its IUPAC name is N-[[2-chloro-6-(4-ethyl-3-methylpiperazin-1-yl)phenyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[2-chloro-6-(4-ethyl-3-methylpiperazin-1-yl)phenyl]methyl]cyclopropanamine
PubChem CID63635865
Molecular FormulaC17H26ClN3
Molecular Weight307.87 g/mol
Exact Mass307.18
IUPAC NameN-[[2-chloro-6-(4-ethyl-3-methylpiperazin-1-yl)phenyl]methyl]cyclopropanamine
SMILESCCN1CCN(c2cccc(Cl)c2CNC2CC2)CC1C
InChIInChI=1S/C17H26ClN3/c1-3-20-9-10-21(12-13(20)2)17-6-4-5-16(18)15(17)11-19-14-7-8-14/h4-6,13-14,19H,3,7-12H2,1-2H3
InChIKeyWRVCFYSSOVYVEI-UHFFFAOYSA-N
XLogP3.12
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.87
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[2-chloro-6-(4-ethyl-3-methylpiperazin-1-yl)phenyl]methyl]cyclopropanamine?
The IUPAC name of N-[[2-chloro-6-(4-ethyl-3-methylpiperazin-1-yl)phenyl]methyl]cyclopropanamine (CID 63635865) is N-[[2-chloro-6-(4-ethyl-3-methylpiperazin-1-yl)phenyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[2-chloro-6-(4-ethyl-3-methylpiperazin-1-yl)phenyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[2-chloro-6-(4-ethyl-3-methylpiperazin-1-yl)phenyl]methyl]cyclopropanamine is CCN1CCN(c2cccc(Cl)c2CNC2CC2)CC1C.
What is the InChIKey of N-[[2-chloro-6-(4-ethyl-3-methylpiperazin-1-yl)phenyl]methyl]cyclopropanamine?
The InChIKey is WRVCFYSSOVYVEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26ClN3/c1-3-20-9-10-21(12-13(20)2)17-6-4-5-16(18)15(17)11-19-14-7-8-14/h4-6,13-14,19H,3,7-12H2,1-2H3.
What are the key properties of N-[[2-chloro-6-(4-ethyl-3-methylpiperazin-1-yl)phenyl]methyl]cyclopropanamine?
N-[[2-chloro-6-(4-ethyl-3-methylpiperazin-1-yl)phenyl]methyl]cyclopropanamine has a molecular weight of 307.87 g/mol, XLogP of 3.12, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-chloro-6-(4-ethyl-3-methylpiperazin-1-yl)phenyl]methyl]cyclopropanamine is sourced from PubChem (CID 63635865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).