4-N-[2-(2-methylphenyl)cyclopropyl]cyclohexane-1,4-diamine

C16H24N2 — CID 71553304

IUPAC4-N-[2-(2-methylphenyl)cyclopropyl]cyclohexane-1,4-diamine
SMILESCc1ccccc1C1CC1NC1CCC(N)CC1
InChIInChI=1S/C16H24N2/c1-11-4-2-3-5-14(11)15-10-16(15)18-13-8-6-12(17)7-9-13/h2-5,12-13,15-16,18H,6-10,17H2,1H3
InChIKeyVUUUJQSTZWEXHY-UHFFFAOYSA-N
MW244.38 g/mol
LogP2.71
Rot. Bonds3

About 4-N-[2-(2-methylphenyl)cyclopropyl]cyclohexane-1,4-diamine

4-N-[2-(2-methylphenyl)cyclopropyl]cyclohexane-1,4-diamine (PubChem CID 71553304) has the molecular formula C16H24N2 and a molecular weight of 244.38 g/mol. Its IUPAC name is 4-N-[2-(2-methylphenyl)cyclopropyl]cyclohexane-1,4-diamine.

Molecular Properties

Compound Name4-N-[2-(2-methylphenyl)cyclopropyl]cyclohexane-1,4-diamine
PubChem CID71553304
Molecular FormulaC16H24N2
Molecular Weight244.38 g/mol
Exact Mass244.19
IUPAC Name4-N-[2-(2-methylphenyl)cyclopropyl]cyclohexane-1,4-diamine
SMILESCc1ccccc1C1CC1NC1CCC(N)CC1
InChIInChI=1S/C16H24N2/c1-11-4-2-3-5-14(11)15-10-16(15)18-13-8-6-12(17)7-9-13/h2-5,12-13,15-16,18H,6-10,17H2,1H3
InChIKeyVUUUJQSTZWEXHY-UHFFFAOYSA-N
XLogP2.71
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 52.71
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)cyclopropyl]cyclohexane-1,4-diamine?
The IUPAC name of 4-N-[2-(2-methylphenyl)cyclopropyl]cyclohexane-1,4-diamine (CID 71553304) is 4-N-[2-(2-methylphenyl)cyclopropyl]cyclohexane-1,4-diamine.
What is the SMILES notation for 4-N-[2-(2-methylphenyl)cyclopropyl]cyclohexane-1,4-diamine?
The canonical SMILES for 4-N-[2-(2-methylphenyl)cyclopropyl]cyclohexane-1,4-diamine is Cc1ccccc1C1CC1NC1CCC(N)CC1.
What is the InChIKey of 4-N-[2-(2-methylphenyl)cyclopropyl]cyclohexane-1,4-diamine?
The InChIKey is VUUUJQSTZWEXHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2/c1-11-4-2-3-5-14(11)15-10-16(15)18-13-8-6-12(17)7-9-13/h2-5,12-13,15-16,18H,6-10,17H2,1H3.
What are the key properties of 4-N-[2-(2-methylphenyl)cyclopropyl]cyclohexane-1,4-diamine?
4-N-[2-(2-methylphenyl)cyclopropyl]cyclohexane-1,4-diamine has a molecular weight of 244.38 g/mol, XLogP of 2.71, 3 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)cyclopropyl]cyclohexane-1,4-diamine is sourced from PubChem (CID 71553304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).