4-N-[2-(2-methylphenyl)ethyl]cyclohexene-1,4-diamine

C15H22N2 — CID 70892649

IUPAC4-N-[2-(2-methylphenyl)ethyl]cyclohexene-1,4-diamine
SMILESCc1ccccc1CCNC1CC=C(N)CC1
InChIInChI=1S/C15H22N2/c1-12-4-2-3-5-13(12)10-11-17-15-8-6-14(16)7-9-15/h2-6,15,17H,7-11,16H2,1H3
InChIKeyMHVBKXYVKFQOLM-UHFFFAOYSA-N
MW230.35 g/mol
LogP2.52
Rot. Bonds4

About 4-N-[2-(2-methylphenyl)ethyl]cyclohexene-1,4-diamine

4-N-[2-(2-methylphenyl)ethyl]cyclohexene-1,4-diamine (PubChem CID 70892649) has the molecular formula C15H22N2 and a molecular weight of 230.35 g/mol. Its IUPAC name is 4-N-[2-(2-methylphenyl)ethyl]cyclohexene-1,4-diamine.

Molecular Properties

Compound Name4-N-[2-(2-methylphenyl)ethyl]cyclohexene-1,4-diamine
PubChem CID70892649
Molecular FormulaC15H22N2
Molecular Weight230.35 g/mol
Exact Mass230.18
IUPAC Name4-N-[2-(2-methylphenyl)ethyl]cyclohexene-1,4-diamine
SMILESCc1ccccc1CCNC1CC=C(N)CC1
InChIInChI=1S/C15H22N2/c1-12-4-2-3-5-13(12)10-11-17-15-8-6-14(16)7-9-15/h2-6,15,17H,7-11,16H2,1H3
InChIKeyMHVBKXYVKFQOLM-UHFFFAOYSA-N
XLogP2.52
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 52.52
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-methylphenyl)ethyl]cyclohexene-1,4-diamine?
The IUPAC name of 4-N-[2-(2-methylphenyl)ethyl]cyclohexene-1,4-diamine (CID 70892649) is 4-N-[2-(2-methylphenyl)ethyl]cyclohexene-1,4-diamine.
What is the SMILES notation for 4-N-[2-(2-methylphenyl)ethyl]cyclohexene-1,4-diamine?
The canonical SMILES for 4-N-[2-(2-methylphenyl)ethyl]cyclohexene-1,4-diamine is Cc1ccccc1CCNC1CC=C(N)CC1.
What is the InChIKey of 4-N-[2-(2-methylphenyl)ethyl]cyclohexene-1,4-diamine?
The InChIKey is MHVBKXYVKFQOLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2/c1-12-4-2-3-5-13(12)10-11-17-15-8-6-14(16)7-9-15/h2-6,15,17H,7-11,16H2,1H3.
What are the key properties of 4-N-[2-(2-methylphenyl)ethyl]cyclohexene-1,4-diamine?
4-N-[2-(2-methylphenyl)ethyl]cyclohexene-1,4-diamine has a molecular weight of 230.35 g/mol, XLogP of 2.52, 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-methylphenyl)ethyl]cyclohexene-1,4-diamine is sourced from PubChem (CID 70892649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).