4-N-(3-methylcyclohexyl)benzene-1,4-diamine

C13H20N2 — CID 43317797

IUPAC4-N-(3-methylcyclohexyl)benzene-1,4-diamine
SMILESCC1CCCC(Nc2ccc(N)cc2)C1
InChIInChI=1S/C13H20N2/c1-10-3-2-4-13(9-10)15-12-7-5-11(14)6-8-12/h5-8,10,13,15H,2-4,9,14H2,1H3
InChIKeyQILMNNGJNYTRGZ-UHFFFAOYSA-N
MW204.32 g/mol
LogP3.26
Rot. Bonds2

About 4-N-(3-methylcyclohexyl)benzene-1,4-diamine

4-N-(3-methylcyclohexyl)benzene-1,4-diamine (PubChem CID 43317797) has the molecular formula C13H20N2 and a molecular weight of 204.32 g/mol. Its IUPAC name is 4-N-(3-methylcyclohexyl)benzene-1,4-diamine.

Molecular Properties

Compound Name4-N-(3-methylcyclohexyl)benzene-1,4-diamine
PubChem CID43317797
Molecular FormulaC13H20N2
Molecular Weight204.32 g/mol
Exact Mass204.16
IUPAC Name4-N-(3-methylcyclohexyl)benzene-1,4-diamine
SMILESCC1CCCC(Nc2ccc(N)cc2)C1
InChIInChI=1S/C13H20N2/c1-10-3-2-4-13(9-10)15-12-7-5-11(14)6-8-12/h5-8,10,13,15H,2-4,9,14H2,1H3
InChIKeyQILMNNGJNYTRGZ-UHFFFAOYSA-N
XLogP3.26
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.32
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-fluoro-N-(3-methylcyclohexyl)aniline
CID 43097581
4-N-(3,5-dimethylcyclohexyl)benzene-1,4-diamine
CID 64732658
4-tert-butyl-N-(3-methylcyclohexyl)aniline
CID 43099749
5-methyl-3-N-(3-methylcyclohexyl)benzene-1,3-diamine
CID 112647121
4-cyclopentylsulfanyl-N-(3-methylcyclohexyl)aniline
CID 43726303
4-butyl-N-(3-methylcyclohexyl)aniline
CID 43103232
4-cyclopentyloxy-N-(3-methylcyclopentyl)aniline
CID 64500639
N-(3-methylcyclohexyl)-4-morpholin-4-ylaniline
CID 43100372
3-amino-5-[(3-methylcyclohexyl)amino]benzenesulfonamide
CID 54887701
1-methyl-5-[(3-methylcyclohexyl)amino]pyridin-2-one
CID 60932533
3,5-dichloro-N-(3-methylcyclohexyl)aniline
CID 43111020
4-methyl-N-(3-methylcyclohexyl)-3-(trifluoromethyl)aniline
CID 63455931

Frequently Asked Questions

What is the IUPAC name of 4-N-(3-methylcyclohexyl)benzene-1,4-diamine?
The IUPAC name of 4-N-(3-methylcyclohexyl)benzene-1,4-diamine (CID 43317797) is 4-N-(3-methylcyclohexyl)benzene-1,4-diamine.
What is the SMILES notation for 4-N-(3-methylcyclohexyl)benzene-1,4-diamine?
The canonical SMILES for 4-N-(3-methylcyclohexyl)benzene-1,4-diamine is CC1CCCC(Nc2ccc(N)cc2)C1.
What is the InChIKey of 4-N-(3-methylcyclohexyl)benzene-1,4-diamine?
The InChIKey is QILMNNGJNYTRGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2/c1-10-3-2-4-13(9-10)15-12-7-5-11(14)6-8-12/h5-8,10,13,15H,2-4,9,14H2,1H3.
What are the key properties of 4-N-(3-methylcyclohexyl)benzene-1,4-diamine?
4-N-(3-methylcyclohexyl)benzene-1,4-diamine has a molecular weight of 204.32 g/mol, XLogP of 3.26, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(3-methylcyclohexyl)benzene-1,4-diamine is sourced from PubChem (CID 43317797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).