1-N-cyclooctyl-3-N,3-N,4-trimethylbenzene-1,3-diamine

C17H28N2 — CID 115376615

IUPAC1-N-cyclooctyl-3-N,3-N,4-trimethylbenzene-1,3-diamine
SMILESCc1ccc(NC2CCCCCCC2)cc1N(C)C
InChIInChI=1S/C17H28N2/c1-14-11-12-16(13-17(14)19(2)3)18-15-9-7-5-4-6-8-10-15/h11-13,15,18H,4-10H2,1-3H3
InChIKeyLYOMLLOJDULSHY-UHFFFAOYSA-N
MW260.43 g/mol
LogP4.59
Rot. Bonds3

About 1-N-cyclooctyl-3-N,3-N,4-trimethylbenzene-1,3-diamine

1-N-cyclooctyl-3-N,3-N,4-trimethylbenzene-1,3-diamine (PubChem CID 115376615) has the molecular formula C17H28N2 and a molecular weight of 260.43 g/mol. Its IUPAC name is 1-N-cyclooctyl-3-N,3-N,4-trimethylbenzene-1,3-diamine.

Molecular Properties

Compound Name1-N-cyclooctyl-3-N,3-N,4-trimethylbenzene-1,3-diamine
PubChem CID115376615
Molecular FormulaC17H28N2
Molecular Weight260.43 g/mol
Exact Mass260.23
IUPAC Name1-N-cyclooctyl-3-N,3-N,4-trimethylbenzene-1,3-diamine
SMILESCc1ccc(NC2CCCCCCC2)cc1N(C)C
InChIInChI=1S/C17H28N2/c1-14-11-12-16(13-17(14)19(2)3)18-15-9-7-5-4-6-8-10-15/h11-13,15,18H,4-10H2,1-3H3
InChIKeyLYOMLLOJDULSHY-UHFFFAOYSA-N
XLogP4.59
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.43
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-N-(3-aminocyclohexyl)-3-N,3-N,4-trimethylbenzene-1,3-diamine
CID 113297656
3-N,3-N,4-trimethyl-1-N-(4-propylcycloheptyl)benzene-1,3-diamine
CID 115377235
3-N,3-N,4-trimethyl-1-N-(3-methylcyclobutyl)benzene-1,3-diamine
CID 103562221
trans-(1S,2S)-2-[3-(dimethylamino)-4-methylanilino]cyclohexan-1-ol
CID 102731527
1-cyclopentyl-3-[3-(dimethylamino)-4-methylphenyl]urea
CID 116656999
N-(3-chloro-4-methylphenyl)cyclododecanamine
CID 63418759
N-[4-methyl-3-(trifluoromethyl)phenyl]cyclooctanamine
CID 63455762
1-N-(2,2-dimethylcyclopentyl)-3-N,3-N,4-trimethylbenzene-1,3-diamine
CID 113297673
4-N-cyclohexyl-2-methylbenzene-1,4-diamine
CID 43436188
4-N-cyclopentyl-2-methylbenzene-1,4-diamine
CID 43436194
5-(cyclohexylamino)-2-methylbenzoic acid
CID 82932718
N-cyclopentyl-4-iodo-3-methylaniline
CID 166607280

Frequently Asked Questions

What is the IUPAC name of 1-N-cyclooctyl-3-N,3-N,4-trimethylbenzene-1,3-diamine?
The IUPAC name of 1-N-cyclooctyl-3-N,3-N,4-trimethylbenzene-1,3-diamine (CID 115376615) is 1-N-cyclooctyl-3-N,3-N,4-trimethylbenzene-1,3-diamine.
What is the SMILES notation for 1-N-cyclooctyl-3-N,3-N,4-trimethylbenzene-1,3-diamine?
The canonical SMILES for 1-N-cyclooctyl-3-N,3-N,4-trimethylbenzene-1,3-diamine is Cc1ccc(NC2CCCCCCC2)cc1N(C)C.
What is the InChIKey of 1-N-cyclooctyl-3-N,3-N,4-trimethylbenzene-1,3-diamine?
The InChIKey is LYOMLLOJDULSHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2/c1-14-11-12-16(13-17(14)19(2)3)18-15-9-7-5-4-6-8-10-15/h11-13,15,18H,4-10H2,1-3H3.
What are the key properties of 1-N-cyclooctyl-3-N,3-N,4-trimethylbenzene-1,3-diamine?
1-N-cyclooctyl-3-N,3-N,4-trimethylbenzene-1,3-diamine has a molecular weight of 260.43 g/mol, XLogP of 4.59, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-cyclooctyl-3-N,3-N,4-trimethylbenzene-1,3-diamine is sourced from PubChem (CID 115376615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).