3-N-cyclobutyl-1-N,3-N-dimethylbenzene-1,3-diamine

C12H18N2 — CID 117041101

IUPAC3-N-cyclobutyl-1-N,3-N-dimethylbenzene-1,3-diamine
SMILESCNc1cccc(N(C)C2CCC2)c1
InChIInChI=1S/C12H18N2/c1-13-10-5-3-8-12(9-10)14(2)11-6-4-7-11/h3,5,8-9,11,13H,4,6-7H2,1-2H3
InChIKeyPNBPUWDETOLBHU-UHFFFAOYSA-N
MW190.29 g/mol
LogP2.72
Rot. Bonds3

About 3-N-cyclobutyl-1-N,3-N-dimethylbenzene-1,3-diamine

3-N-cyclobutyl-1-N,3-N-dimethylbenzene-1,3-diamine (PubChem CID 117041101) has the molecular formula C12H18N2 and a molecular weight of 190.29 g/mol. Its IUPAC name is 3-N-cyclobutyl-1-N,3-N-dimethylbenzene-1,3-diamine.

Molecular Properties

Compound Name3-N-cyclobutyl-1-N,3-N-dimethylbenzene-1,3-diamine
PubChem CID117041101
Molecular FormulaC12H18N2
Molecular Weight190.29 g/mol
Exact Mass190.15
IUPAC Name3-N-cyclobutyl-1-N,3-N-dimethylbenzene-1,3-diamine
SMILESCNc1cccc(N(C)C2CCC2)c1
InChIInChI=1S/C12H18N2/c1-13-10-5-3-8-12(9-10)14(2)11-6-4-7-11/h3,5,8-9,11,13H,4,6-7H2,1-2H3
InChIKeyPNBPUWDETOLBHU-UHFFFAOYSA-N
XLogP2.72
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.29
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-N-cyclobutyl-1-N,3-N-dimethylbenzene-1,3-diamine?
The IUPAC name of 3-N-cyclobutyl-1-N,3-N-dimethylbenzene-1,3-diamine (CID 117041101) is 3-N-cyclobutyl-1-N,3-N-dimethylbenzene-1,3-diamine.
What is the SMILES notation for 3-N-cyclobutyl-1-N,3-N-dimethylbenzene-1,3-diamine?
The canonical SMILES for 3-N-cyclobutyl-1-N,3-N-dimethylbenzene-1,3-diamine is CNc1cccc(N(C)C2CCC2)c1.
What is the InChIKey of 3-N-cyclobutyl-1-N,3-N-dimethylbenzene-1,3-diamine?
The InChIKey is PNBPUWDETOLBHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2/c1-13-10-5-3-8-12(9-10)14(2)11-6-4-7-11/h3,5,8-9,11,13H,4,6-7H2,1-2H3.
What are the key properties of 3-N-cyclobutyl-1-N,3-N-dimethylbenzene-1,3-diamine?
3-N-cyclobutyl-1-N,3-N-dimethylbenzene-1,3-diamine has a molecular weight of 190.29 g/mol, XLogP of 2.72, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-cyclobutyl-1-N,3-N-dimethylbenzene-1,3-diamine is sourced from PubChem (CID 117041101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).