2-N-(2,5-dimethylcyclohexyl)-2-N-methylpropane-1,2-diamine

C12H26N2 — CID 130908926

IUPAC2-N-(2,5-dimethylcyclohexyl)-2-N-methylpropane-1,2-diamine
SMILESCC1CCC(C)C(N(C)C(C)CN)C1
InChIInChI=1S/C12H26N2/c1-9-5-6-10(2)12(7-9)14(4)11(3)8-13/h9-12H,5-8,13H2,1-4H3
InChIKeyGNAFISSXXZBESV-UHFFFAOYSA-N
MW198.35 g/mol
LogP2.09
Rot. Bonds3

About 2-N-(2,5-dimethylcyclohexyl)-2-N-methylpropane-1,2-diamine

2-N-(2,5-dimethylcyclohexyl)-2-N-methylpropane-1,2-diamine (PubChem CID 130908926) has the molecular formula C12H26N2 and a molecular weight of 198.35 g/mol. Its IUPAC name is 2-N-(2,5-dimethylcyclohexyl)-2-N-methylpropane-1,2-diamine.

Molecular Properties

Compound Name2-N-(2,5-dimethylcyclohexyl)-2-N-methylpropane-1,2-diamine
PubChem CID130908926
Molecular FormulaC12H26N2
Molecular Weight198.35 g/mol
Exact Mass198.21
IUPAC Name2-N-(2,5-dimethylcyclohexyl)-2-N-methylpropane-1,2-diamine
SMILESCC1CCC(C)C(N(C)C(C)CN)C1
InChIInChI=1S/C12H26N2/c1-9-5-6-10(2)12(7-9)14(4)11(3)8-13/h9-12H,5-8,13H2,1-4H3
InChIKeyGNAFISSXXZBESV-UHFFFAOYSA-N
XLogP2.09
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.35
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-N-(2,5-dimethylcyclohexyl)-2-N-methylpropane-1,2-diamine?
The IUPAC name of 2-N-(2,5-dimethylcyclohexyl)-2-N-methylpropane-1,2-diamine (CID 130908926) is 2-N-(2,5-dimethylcyclohexyl)-2-N-methylpropane-1,2-diamine.
What is the SMILES notation for 2-N-(2,5-dimethylcyclohexyl)-2-N-methylpropane-1,2-diamine?
The canonical SMILES for 2-N-(2,5-dimethylcyclohexyl)-2-N-methylpropane-1,2-diamine is CC1CCC(C)C(N(C)C(C)CN)C1.
What is the InChIKey of 2-N-(2,5-dimethylcyclohexyl)-2-N-methylpropane-1,2-diamine?
The InChIKey is GNAFISSXXZBESV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2/c1-9-5-6-10(2)12(7-9)14(4)11(3)8-13/h9-12H,5-8,13H2,1-4H3.
What are the key properties of 2-N-(2,5-dimethylcyclohexyl)-2-N-methylpropane-1,2-diamine?
2-N-(2,5-dimethylcyclohexyl)-2-N-methylpropane-1,2-diamine has a molecular weight of 198.35 g/mol, XLogP of 2.09, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2,5-dimethylcyclohexyl)-2-N-methylpropane-1,2-diamine is sourced from PubChem (CID 130908926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).