4-N-[2-(2-phenylethenyl)cyclopropyl]cyclohexane-1,4-diamine;dihydrochloride

C17H26Cl2N2 — CID 135351315

IUPAC4-N-[2-(2-phenylethenyl)cyclopropyl]cyclohexane-1,4-diamine;dihydrochloride
SMILESCl.Cl.NC1CCC(NC2CC2C=Cc2ccccc2)CC1
InChIInChI=1S/C17H24N2.2ClH/c18-15-8-10-16(11-9-15)19-17-12-14(17)7-6-13-4-2-1-3-5-13;;/h1-7,14-17,19H,8-12,18H2;2*1H
InChIKeyBWOYWTKSIVJIGX-UHFFFAOYSA-N
MW329.31 g/mol
LogP3.79
Rot. Bonds4

About 4-N-[2-(2-phenylethenyl)cyclopropyl]cyclohexane-1,4-diamine;dihydrochloride

4-N-[2-(2-phenylethenyl)cyclopropyl]cyclohexane-1,4-diamine;dihydrochloride (PubChem CID 135351315) has the molecular formula C17H26Cl2N2 and a molecular weight of 329.31 g/mol. Its IUPAC name is 4-N-[2-(2-phenylethenyl)cyclopropyl]cyclohexane-1,4-diamine;dihydrochloride.

Molecular Properties

Compound Name4-N-[2-(2-phenylethenyl)cyclopropyl]cyclohexane-1,4-diamine;dihydrochloride
PubChem CID135351315
Molecular FormulaC17H26Cl2N2
Molecular Weight329.31 g/mol
Exact Mass328.15
IUPAC Name4-N-[2-(2-phenylethenyl)cyclopropyl]cyclohexane-1,4-diamine;dihydrochloride
SMILESCl.Cl.NC1CCC(NC2CC2C=Cc2ccccc2)CC1
InChIInChI=1S/C17H24N2.2ClH/c18-15-8-10-16(11-9-15)19-17-12-14(17)7-6-13-4-2-1-3-5-13;;/h1-7,14-17,19H,8-12,18H2;2*1H
InChIKeyBWOYWTKSIVJIGX-UHFFFAOYSA-N
XLogP3.79
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.31
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-N-[2-(2-phenylethenyl)cyclopropyl]cyclohexane-1,4-diamine;dihydrochloride?
The IUPAC name of 4-N-[2-(2-phenylethenyl)cyclopropyl]cyclohexane-1,4-diamine;dihydrochloride (CID 135351315) is 4-N-[2-(2-phenylethenyl)cyclopropyl]cyclohexane-1,4-diamine;dihydrochloride.
What is the SMILES notation for 4-N-[2-(2-phenylethenyl)cyclopropyl]cyclohexane-1,4-diamine;dihydrochloride?
The canonical SMILES for 4-N-[2-(2-phenylethenyl)cyclopropyl]cyclohexane-1,4-diamine;dihydrochloride is Cl.Cl.NC1CCC(NC2CC2C=Cc2ccccc2)CC1.
What is the InChIKey of 4-N-[2-(2-phenylethenyl)cyclopropyl]cyclohexane-1,4-diamine;dihydrochloride?
The InChIKey is BWOYWTKSIVJIGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2.2ClH/c18-15-8-10-16(11-9-15)19-17-12-14(17)7-6-13-4-2-1-3-5-13;;/h1-7,14-17,19H,8-12,18H2;2*1H.
What are the key properties of 4-N-[2-(2-phenylethenyl)cyclopropyl]cyclohexane-1,4-diamine;dihydrochloride?
4-N-[2-(2-phenylethenyl)cyclopropyl]cyclohexane-1,4-diamine;dihydrochloride has a molecular weight of 329.31 g/mol, XLogP of 3.79, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[2-(2-phenylethenyl)cyclopropyl]cyclohexane-1,4-diamine;dihydrochloride is sourced from PubChem (CID 135351315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).