3-N-cyclooctyl-5-methylbenzene-1,3-diamine

C15H24N2 — CID 112646949

IUPAC3-N-cyclooctyl-5-methylbenzene-1,3-diamine
SMILESCc1cc(N)cc(NC2CCCCCCC2)c1
InChIInChI=1S/C15H24N2/c1-12-9-13(16)11-15(10-12)17-14-7-5-3-2-4-6-8-14/h9-11,14,17H,2-8,16H2,1H3
InChIKeyGTBTXVCMGKSPKA-UHFFFAOYSA-N
MW232.37 g/mol
LogP4.10
Rot. Bonds2

About 3-N-cyclooctyl-5-methylbenzene-1,3-diamine

3-N-cyclooctyl-5-methylbenzene-1,3-diamine (PubChem CID 112646949) has the molecular formula C15H24N2 and a molecular weight of 232.37 g/mol. Its IUPAC name is 3-N-cyclooctyl-5-methylbenzene-1,3-diamine.

Molecular Properties

Compound Name3-N-cyclooctyl-5-methylbenzene-1,3-diamine
PubChem CID112646949
Molecular FormulaC15H24N2
Molecular Weight232.37 g/mol
Exact Mass232.19
IUPAC Name3-N-cyclooctyl-5-methylbenzene-1,3-diamine
SMILESCc1cc(N)cc(NC2CCCCCCC2)c1
InChIInChI=1S/C15H24N2/c1-12-9-13(16)11-15(10-12)17-14-7-5-3-2-4-6-8-14/h9-11,14,17H,2-8,16H2,1H3
InChIKeyGTBTXVCMGKSPKA-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': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-N-cyclopropyl-5-methylbenzene-1,3-diamine
CID 112646925
5-methyl-3-N-(3-methylcyclohexyl)benzene-1,3-diamine
CID 112647121
3-N-(1,1-dioxothian-4-yl)-5-methylbenzene-1,3-diamine
CID 112647228
3-(3-amino-5-methylanilino)cyclobutan-1-ol
CID 112647990
4-N-cyclohexyl-2-methylbenzene-1,4-diamine
CID 43436188
5-methyl-3-N-(2-propan-2-ylcyclohexyl)benzene-1,3-diamine
CID 112648163
3-N-(2,3-dihydro-1H-inden-2-yl)-5-methylbenzene-1,3-diamine
CID 114008155
N-(3,5-dimethylphenyl)oxepan-4-amine
CID 65076882
4-N-cyclopentyl-2-methylbenzene-1,4-diamine
CID 43436194
5-methyl-3-N-(1,2,3,4-tetrahydronaphthalen-2-yl)benzene-1,3-diamine
CID 112647668
3,5-dimethyl-N-(3-propan-2-ylcyclohexyl)aniline
CID 107447823
3-(cyclobutylamino)-5-methylbenzenecarbothioamide
CID 58503878

Frequently Asked Questions

What is the IUPAC name of 3-N-cyclooctyl-5-methylbenzene-1,3-diamine?
The IUPAC name of 3-N-cyclooctyl-5-methylbenzene-1,3-diamine (CID 112646949) is 3-N-cyclooctyl-5-methylbenzene-1,3-diamine.
What is the SMILES notation for 3-N-cyclooctyl-5-methylbenzene-1,3-diamine?
The canonical SMILES for 3-N-cyclooctyl-5-methylbenzene-1,3-diamine is Cc1cc(N)cc(NC2CCCCCCC2)c1.
What is the InChIKey of 3-N-cyclooctyl-5-methylbenzene-1,3-diamine?
The InChIKey is GTBTXVCMGKSPKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2/c1-12-9-13(16)11-15(10-12)17-14-7-5-3-2-4-6-8-14/h9-11,14,17H,2-8,16H2,1H3.
What are the key properties of 3-N-cyclooctyl-5-methylbenzene-1,3-diamine?
3-N-cyclooctyl-5-methylbenzene-1,3-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 3-N-cyclooctyl-5-methylbenzene-1,3-diamine is sourced from PubChem (CID 112646949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).