1-N-(2-tert-butylcyclohexyl)-2-N,2-N-dimethylbenzene-1,2-diamine

C18H30N2 — CID 43726471

IUPAC1-N-(2-tert-butylcyclohexyl)-2-N,2-N-dimethylbenzene-1,2-diamine
SMILESCN(C)c1ccccc1NC1CCCCC1C(C)(C)C
InChIInChI=1S/C18H30N2/c1-18(2,3)14-10-6-7-11-15(14)19-16-12-8-9-13-17(16)20(4)5/h8-9,12-15,19H,6-7,10-11H2,1-5H3
InChIKeyZBRDGFNLVAGGBA-UHFFFAOYSA-N
MW274.45 g/mol
LogP4.77
Rot. Bonds3

About 1-N-(2-tert-butylcyclohexyl)-2-N,2-N-dimethylbenzene-1,2-diamine

1-N-(2-tert-butylcyclohexyl)-2-N,2-N-dimethylbenzene-1,2-diamine (PubChem CID 43726471) has the molecular formula C18H30N2 and a molecular weight of 274.45 g/mol. Its IUPAC name is 1-N-(2-tert-butylcyclohexyl)-2-N,2-N-dimethylbenzene-1,2-diamine.

Molecular Properties

Compound Name1-N-(2-tert-butylcyclohexyl)-2-N,2-N-dimethylbenzene-1,2-diamine
PubChem CID43726471
Molecular FormulaC18H30N2
Molecular Weight274.45 g/mol
Exact Mass274.24
IUPAC Name1-N-(2-tert-butylcyclohexyl)-2-N,2-N-dimethylbenzene-1,2-diamine
SMILESCN(C)c1ccccc1NC1CCCCC1C(C)(C)C
InChIInChI=1S/C18H30N2/c1-18(2,3)14-10-6-7-11-15(14)19-16-12-8-9-13-17(16)20(4)5/h8-9,12-15,19H,6-7,10-11H2,1-5H3
InChIKeyZBRDGFNLVAGGBA-UHFFFAOYSA-N
XLogP4.77
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.45
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

trans-(1S,2S)-2-[2-(dimethylamino)anilino]cyclohexan-1-ol
CID 106759729
1-N-cyclopentyl-2-N,2-N-dimethylbenzene-1,2-diamine
CID 43726461
1-N-cyclooctyl-2-N,2-N-dimethylbenzene-1,2-diamine
CID 43726463
N-(2-tert-butylcyclohexyl)aniline
CID 43100698
N-(2-tert-butylcyclohexyl)-3-fluoro-2-methylaniline
CID 55191425
2-bromo-N-(2-tert-butylcyclohexyl)-3-chloroaniline
CID 103478310
1-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-2-N,2-N-dimethylbenzene-1,2-diamine
CID 82853207
1-N-(2-bicyclo[2.2.1]heptanyl)-2-N,2-N-dimethylbenzene-1,2-diamine
CID 61308054
2-N,2-N-dimethyl-1-N-(8-tricyclo[5.2.1.02,6]decanyl)benzene-1,2-diamine
CID 43726475
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
N-(2-tert-butylcyclohexyl)-2,4-dichloroaniline
CID 55199009

Frequently Asked Questions

What is the IUPAC name of 1-N-(2-tert-butylcyclohexyl)-2-N,2-N-dimethylbenzene-1,2-diamine?
The IUPAC name of 1-N-(2-tert-butylcyclohexyl)-2-N,2-N-dimethylbenzene-1,2-diamine (CID 43726471) is 1-N-(2-tert-butylcyclohexyl)-2-N,2-N-dimethylbenzene-1,2-diamine.
What is the SMILES notation for 1-N-(2-tert-butylcyclohexyl)-2-N,2-N-dimethylbenzene-1,2-diamine?
The canonical SMILES for 1-N-(2-tert-butylcyclohexyl)-2-N,2-N-dimethylbenzene-1,2-diamine is CN(C)c1ccccc1NC1CCCCC1C(C)(C)C.
What is the InChIKey of 1-N-(2-tert-butylcyclohexyl)-2-N,2-N-dimethylbenzene-1,2-diamine?
The InChIKey is ZBRDGFNLVAGGBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2/c1-18(2,3)14-10-6-7-11-15(14)19-16-12-8-9-13-17(16)20(4)5/h8-9,12-15,19H,6-7,10-11H2,1-5H3.
What are the key properties of 1-N-(2-tert-butylcyclohexyl)-2-N,2-N-dimethylbenzene-1,2-diamine?
1-N-(2-tert-butylcyclohexyl)-2-N,2-N-dimethylbenzene-1,2-diamine has a molecular weight of 274.45 g/mol, XLogP of 4.77, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(2-tert-butylcyclohexyl)-2-N,2-N-dimethylbenzene-1,2-diamine is sourced from PubChem (CID 43726471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).