2-N-cyclooctyl-3-methylbenzene-1,2-diamine

C15H24N2 — CID 115549944

IUPAC2-N-cyclooctyl-3-methylbenzene-1,2-diamine
SMILESCc1cccc(N)c1NC1CCCCCCC1
InChIInChI=1S/C15H24N2/c1-12-8-7-11-14(16)15(12)17-13-9-5-3-2-4-6-10-13/h7-8,11,13,17H,2-6,9-10,16H2,1H3
InChIKeyUTPILUNLYQGDFX-UHFFFAOYSA-N
MW232.37 g/mol
LogP4.10
Rot. Bonds2

About 2-N-cyclooctyl-3-methylbenzene-1,2-diamine

2-N-cyclooctyl-3-methylbenzene-1,2-diamine (PubChem CID 115549944) has the molecular formula C15H24N2 and a molecular weight of 232.37 g/mol. Its IUPAC name is 2-N-cyclooctyl-3-methylbenzene-1,2-diamine.

Molecular Properties

Compound Name2-N-cyclooctyl-3-methylbenzene-1,2-diamine
PubChem CID115549944
Molecular FormulaC15H24N2
Molecular Weight232.37 g/mol
Exact Mass232.19
IUPAC Name2-N-cyclooctyl-3-methylbenzene-1,2-diamine
SMILESCc1cccc(N)c1NC1CCCCCCC1
InChIInChI=1S/C15H24N2/c1-12-8-7-11-14(16)15(12)17-13-9-5-3-2-4-6-10-13/h7-8,11,13,17H,2-6,9-10,16H2,1H3
InChIKeyUTPILUNLYQGDFX-UHFFFAOYSA-N
XLogP4.10
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.37
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_NH_alk_D(2)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-(2-amino-6-methylanilino)cyclohexan-1-ol
CID 104966691
3-N-cyclohexyl-2,4-dimethylbenzene-1,3-diamine
CID 82933121
3-(2-amino-6-methylanilino)cyclobutan-1-ol
CID 115550663
3-methyl-2-N-(4-propylcyclohexyl)benzene-1,2-diamine
CID 115550273
3-methyl-2-N-(1-methylazetidin-3-yl)benzene-1,2-diamine
CID 130631034
3-methyl-2-N-(2-methylcyclopentyl)benzene-1,2-diamine
CID 115550519
2-N-(2-ethylcyclohexyl)-3-methylbenzene-1,2-diamine
CID 115550239
3-N-cyclohexylbenzene-1,2,3-triamine
CID 14942290
N-cyclopentyl-2-ethyl-6-methylaniline
CID 60924694
N-(2-amino-6-methylphenyl)cyclohexanesulfonamide
CID 61065471
2-(cyclooctylamino)-3-methylbenzoic acid
CID 107111851
2-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-3-methylbenzene-1,2-diamine
CID 113333804

Frequently Asked Questions

What is the IUPAC name of 2-N-cyclooctyl-3-methylbenzene-1,2-diamine?
The IUPAC name of 2-N-cyclooctyl-3-methylbenzene-1,2-diamine (CID 115549944) is 2-N-cyclooctyl-3-methylbenzene-1,2-diamine.
What is the SMILES notation for 2-N-cyclooctyl-3-methylbenzene-1,2-diamine?
The canonical SMILES for 2-N-cyclooctyl-3-methylbenzene-1,2-diamine is Cc1cccc(N)c1NC1CCCCCCC1.
What is the InChIKey of 2-N-cyclooctyl-3-methylbenzene-1,2-diamine?
The InChIKey is UTPILUNLYQGDFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2/c1-12-8-7-11-14(16)15(12)17-13-9-5-3-2-4-6-10-13/h7-8,11,13,17H,2-6,9-10,16H2,1H3.
What are the key properties of 2-N-cyclooctyl-3-methylbenzene-1,2-diamine?
2-N-cyclooctyl-3-methylbenzene-1,2-diamine has a molecular weight of 232.37 g/mol, XLogP of 4.10, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-cyclooctyl-3-methylbenzene-1,2-diamine is sourced from PubChem (CID 115549944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).