3-N-cyclohexyl-2,4-dimethylbenzene-1,3-diamine

C14H22N2 — CID 82933121

IUPAC3-N-cyclohexyl-2,4-dimethylbenzene-1,3-diamine
SMILESCc1ccc(N)c(C)c1NC1CCCCC1
InChIInChI=1S/C14H22N2/c1-10-8-9-13(15)11(2)14(10)16-12-6-4-3-5-7-12/h8-9,12,16H,3-7,15H2,1-2H3
InChIKeyCPNVIQSAKTYENU-UHFFFAOYSA-N
MW218.34 g/mol
LogP3.63
Rot. Bonds2

About 3-N-cyclohexyl-2,4-dimethylbenzene-1,3-diamine

3-N-cyclohexyl-2,4-dimethylbenzene-1,3-diamine (PubChem CID 82933121) has the molecular formula C14H22N2 and a molecular weight of 218.34 g/mol. Its IUPAC name is 3-N-cyclohexyl-2,4-dimethylbenzene-1,3-diamine.

Molecular Properties

Compound Name3-N-cyclohexyl-2,4-dimethylbenzene-1,3-diamine
PubChem CID82933121
Molecular FormulaC14H22N2
Molecular Weight218.34 g/mol
Exact Mass218.18
IUPAC Name3-N-cyclohexyl-2,4-dimethylbenzene-1,3-diamine
SMILESCc1ccc(N)c(C)c1NC1CCCCC1
InChIInChI=1S/C14H22N2/c1-10-8-9-13(15)11(2)14(10)16-12-6-4-3-5-7-12/h8-9,12,16H,3-7,15H2,1-2H3
InChIKeyCPNVIQSAKTYENU-UHFFFAOYSA-N
XLogP3.63
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-N-cyclohexyl-2,4-dimethylbenzene-1,3-diamine?
The IUPAC name of 3-N-cyclohexyl-2,4-dimethylbenzene-1,3-diamine (CID 82933121) is 3-N-cyclohexyl-2,4-dimethylbenzene-1,3-diamine.
What is the SMILES notation for 3-N-cyclohexyl-2,4-dimethylbenzene-1,3-diamine?
The canonical SMILES for 3-N-cyclohexyl-2,4-dimethylbenzene-1,3-diamine is Cc1ccc(N)c(C)c1NC1CCCCC1.
What is the InChIKey of 3-N-cyclohexyl-2,4-dimethylbenzene-1,3-diamine?
The InChIKey is CPNVIQSAKTYENU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2/c1-10-8-9-13(15)11(2)14(10)16-12-6-4-3-5-7-12/h8-9,12,16H,3-7,15H2,1-2H3.
What are the key properties of 3-N-cyclohexyl-2,4-dimethylbenzene-1,3-diamine?
3-N-cyclohexyl-2,4-dimethylbenzene-1,3-diamine has a molecular weight of 218.34 g/mol, XLogP of 3.63, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-cyclohexyl-2,4-dimethylbenzene-1,3-diamine is sourced from PubChem (CID 82933121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).