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

C16H24N2 — CID 135368100

IUPAC1-[2-(2-methylphenyl)cyclopropyl]cyclohexane-1,4-diamine
SMILESCc1ccccc1C1CC1C1(N)CCC(N)CC1
InChIInChI=1S/C16H24N2/c1-11-4-2-3-5-13(11)14-10-15(14)16(18)8-6-12(17)7-9-16/h2-5,12,14-15H,6-10,17-18H2,1H3
InChIKeyYWPOBFCWMLWLRA-UHFFFAOYSA-N
MW244.38 g/mol
LogP2.70
Rot. Bonds2

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

1-[2-(2-methylphenyl)cyclopropyl]cyclohexane-1,4-diamine (PubChem CID 135368100) has the molecular formula C16H24N2 and a molecular weight of 244.38 g/mol. Its IUPAC name is 1-[2-(2-methylphenyl)cyclopropyl]cyclohexane-1,4-diamine.

Molecular Properties

Compound Name1-[2-(2-methylphenyl)cyclopropyl]cyclohexane-1,4-diamine
PubChem CID135368100
Molecular FormulaC16H24N2
Molecular Weight244.38 g/mol
Exact Mass244.19
IUPAC Name1-[2-(2-methylphenyl)cyclopropyl]cyclohexane-1,4-diamine
SMILESCc1ccccc1C1CC1C1(N)CCC(N)CC1
InChIInChI=1S/C16H24N2/c1-11-4-2-3-5-13(11)14-10-15(14)16(18)8-6-12(17)7-9-16/h2-5,12,14-15H,6-10,17-18H2,1H3
InChIKeyYWPOBFCWMLWLRA-UHFFFAOYSA-N
XLogP2.70
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-methylphenyl)cyclopropyl]cyclohexane-1,4-diamine?
The IUPAC name of 1-[2-(2-methylphenyl)cyclopropyl]cyclohexane-1,4-diamine (CID 135368100) is 1-[2-(2-methylphenyl)cyclopropyl]cyclohexane-1,4-diamine.
What is the SMILES notation for 1-[2-(2-methylphenyl)cyclopropyl]cyclohexane-1,4-diamine?
The canonical SMILES for 1-[2-(2-methylphenyl)cyclopropyl]cyclohexane-1,4-diamine is Cc1ccccc1C1CC1C1(N)CCC(N)CC1.
What is the InChIKey of 1-[2-(2-methylphenyl)cyclopropyl]cyclohexane-1,4-diamine?
The InChIKey is YWPOBFCWMLWLRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2/c1-11-4-2-3-5-13(11)14-10-15(14)16(18)8-6-12(17)7-9-16/h2-5,12,14-15H,6-10,17-18H2,1H3.
What are the key properties of 1-[2-(2-methylphenyl)cyclopropyl]cyclohexane-1,4-diamine?
1-[2-(2-methylphenyl)cyclopropyl]cyclohexane-1,4-diamine has a molecular weight of 244.38 g/mol, XLogP of 2.70, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-methylphenyl)cyclopropyl]cyclohexane-1,4-diamine is sourced from PubChem (CID 135368100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).