1-N-(3-cyclopropylcyclohexyl)-2-N,2-N-dimethylbenzene-1,2-diamine

C17H26N2 — CID 64596233

IUPAC1-N-(3-cyclopropylcyclohexyl)-2-N,2-N-dimethylbenzene-1,2-diamine
SMILESCN(C)c1ccccc1NC1CCCC(C2CC2)C1
InChIInChI=1S/C17H26N2/c1-19(2)17-9-4-3-8-16(17)18-15-7-5-6-14(12-15)13-10-11-13/h3-4,8-9,13-15,18H,5-7,10-12H2,1-2H3
InChIKeyFNOAERDHSNWOAU-UHFFFAOYSA-N
MW258.41 g/mol
LogP4.13
Rot. Bonds4

About 1-N-(3-cyclopropylcyclohexyl)-2-N,2-N-dimethylbenzene-1,2-diamine

1-N-(3-cyclopropylcyclohexyl)-2-N,2-N-dimethylbenzene-1,2-diamine (PubChem CID 64596233) has the molecular formula C17H26N2 and a molecular weight of 258.41 g/mol. Its IUPAC name is 1-N-(3-cyclopropylcyclohexyl)-2-N,2-N-dimethylbenzene-1,2-diamine.

Molecular Properties

Compound Name1-N-(3-cyclopropylcyclohexyl)-2-N,2-N-dimethylbenzene-1,2-diamine
PubChem CID64596233
Molecular FormulaC17H26N2
Molecular Weight258.41 g/mol
Exact Mass258.21
IUPAC Name1-N-(3-cyclopropylcyclohexyl)-2-N,2-N-dimethylbenzene-1,2-diamine
SMILESCN(C)c1ccccc1NC1CCCC(C2CC2)C1
InChIInChI=1S/C17H26N2/c1-19(2)17-9-4-3-8-16(17)18-15-7-5-6-14(12-15)13-10-11-13/h3-4,8-9,13-15,18H,5-7,10-12H2,1-2H3
InChIKeyFNOAERDHSNWOAU-UHFFFAOYSA-N
XLogP4.13
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.41
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-N-(3-cyclopropylcyclohexyl)-2-N,2-N-dimethylbenzene-1,2-diamine?
The IUPAC name of 1-N-(3-cyclopropylcyclohexyl)-2-N,2-N-dimethylbenzene-1,2-diamine (CID 64596233) is 1-N-(3-cyclopropylcyclohexyl)-2-N,2-N-dimethylbenzene-1,2-diamine.
What is the SMILES notation for 1-N-(3-cyclopropylcyclohexyl)-2-N,2-N-dimethylbenzene-1,2-diamine?
The canonical SMILES for 1-N-(3-cyclopropylcyclohexyl)-2-N,2-N-dimethylbenzene-1,2-diamine is CN(C)c1ccccc1NC1CCCC(C2CC2)C1.
What is the InChIKey of 1-N-(3-cyclopropylcyclohexyl)-2-N,2-N-dimethylbenzene-1,2-diamine?
The InChIKey is FNOAERDHSNWOAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2/c1-19(2)17-9-4-3-8-16(17)18-15-7-5-6-14(12-15)13-10-11-13/h3-4,8-9,13-15,18H,5-7,10-12H2,1-2H3.
What are the key properties of 1-N-(3-cyclopropylcyclohexyl)-2-N,2-N-dimethylbenzene-1,2-diamine?
1-N-(3-cyclopropylcyclohexyl)-2-N,2-N-dimethylbenzene-1,2-diamine has a molecular weight of 258.41 g/mol, XLogP of 4.13, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(3-cyclopropylcyclohexyl)-2-N,2-N-dimethylbenzene-1,2-diamine is sourced from PubChem (CID 64596233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).