1-N-cyclooctyl-2-N,2-N-dimethylbenzene-1,2-diamine

C16H26N2 — CID 43726463

IUPAC1-N-cyclooctyl-2-N,2-N-dimethylbenzene-1,2-diamine
SMILESCN(C)c1ccccc1NC1CCCCCCC1
InChIInChI=1S/C16H26N2/c1-18(2)16-13-9-8-12-15(16)17-14-10-6-4-3-5-7-11-14/h8-9,12-14,17H,3-7,10-11H2,1-2H3
InChIKeyRXUIWNFFFVQQIX-UHFFFAOYSA-N
MW246.40 g/mol
LogP4.28
Rot. Bonds3

About 1-N-cyclooctyl-2-N,2-N-dimethylbenzene-1,2-diamine

1-N-cyclooctyl-2-N,2-N-dimethylbenzene-1,2-diamine (PubChem CID 43726463) has the molecular formula C16H26N2 and a molecular weight of 246.40 g/mol. Its IUPAC name is 1-N-cyclooctyl-2-N,2-N-dimethylbenzene-1,2-diamine.

Molecular Properties

Compound Name1-N-cyclooctyl-2-N,2-N-dimethylbenzene-1,2-diamine
PubChem CID43726463
Molecular FormulaC16H26N2
Molecular Weight246.40 g/mol
Exact Mass246.21
IUPAC Name1-N-cyclooctyl-2-N,2-N-dimethylbenzene-1,2-diamine
SMILESCN(C)c1ccccc1NC1CCCCCCC1
InChIInChI=1S/C16H26N2/c1-18(2)16-13-9-8-12-15(16)17-14-10-6-4-3-5-7-11-14/h8-9,12-14,17H,3-7,10-11H2,1-2H3
InChIKeyRXUIWNFFFVQQIX-UHFFFAOYSA-N
XLogP4.28
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.40
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-N-cyclopentyl-2-N,2-N-dimethylbenzene-1,2-diamine
CID 43726461
2-N,2-N-dimethyl-1-N-(oxan-4-yl)benzene-1,2-diamine
CID 43726415
1-N-(3-cyclopropylcyclohexyl)-2-N,2-N-dimethylbenzene-1,2-diamine
CID 64596233
trans-(1S,2S)-2-[2-(dimethylamino)anilino]cyclohexan-1-ol
CID 106759729
2-N,2-N-dimethyl-1-N-(1-propan-2-ylpiperidin-4-yl)benzene-1,2-diamine
CID 43726465
4-bromo-2-N-cyclohexyl-1-N,1-N-dimethylbenzene-1,2-diamine
CID 43746246
4-chloro-2-N-cyclooctyl-1-N,1-N-dimethylbenzene-1,2-diamine
CID 43741067
1-N-(2-tert-butylcyclohexyl)-2-N,2-N-dimethylbenzene-1,2-diamine
CID 43726471
2-(cyclopentylamino)-N-[2-(dimethylamino)phenyl]acetamide
CID 60849441
1-N-(1-cyclopropyl-5-methylpyrrolidin-3-yl)-2-N,2-N-dimethylbenzene-1,2-diamine
CID 115904143
2-N,2-N-dimethyl-1-N-(5-oxaspiro[3.5]nonan-8-yl)benzene-1,2-diamine
CID 106759893
2-(cycloheptylamino)-N,N-dimethylbenzenesulfonamide
CID 43454494

Frequently Asked Questions

What is the IUPAC name of 1-N-cyclooctyl-2-N,2-N-dimethylbenzene-1,2-diamine?
The IUPAC name of 1-N-cyclooctyl-2-N,2-N-dimethylbenzene-1,2-diamine (CID 43726463) is 1-N-cyclooctyl-2-N,2-N-dimethylbenzene-1,2-diamine.
What is the SMILES notation for 1-N-cyclooctyl-2-N,2-N-dimethylbenzene-1,2-diamine?
The canonical SMILES for 1-N-cyclooctyl-2-N,2-N-dimethylbenzene-1,2-diamine is CN(C)c1ccccc1NC1CCCCCCC1.
What is the InChIKey of 1-N-cyclooctyl-2-N,2-N-dimethylbenzene-1,2-diamine?
The InChIKey is RXUIWNFFFVQQIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2/c1-18(2)16-13-9-8-12-15(16)17-14-10-6-4-3-5-7-11-14/h8-9,12-14,17H,3-7,10-11H2,1-2H3.
What are the key properties of 1-N-cyclooctyl-2-N,2-N-dimethylbenzene-1,2-diamine?
1-N-cyclooctyl-2-N,2-N-dimethylbenzene-1,2-diamine has a molecular weight of 246.40 g/mol, XLogP of 4.28, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-cyclooctyl-2-N,2-N-dimethylbenzene-1,2-diamine is sourced from PubChem (CID 43726463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).