cyclohexane;N'-methylethane-1,2-diamine

C9H22N2 — CID 174878613

IUPACcyclohexane;N'-methylethane-1,2-diamine
SMILESC1CCCCC1.CNCCN
InChIInChI=1S/C6H12.C3H10N2/c1-2-4-6-5-3-1;1-5-3-2-4/h1-6H2;5H,2-4H2,1H3
InChIKeyJYFAUGXCFOLWTB-UHFFFAOYSA-N
MW158.29 g/mol
LogP1.51
Rot. Bonds2

About cyclohexane;N'-methylethane-1,2-diamine

cyclohexane;N'-methylethane-1,2-diamine (PubChem CID 174878613) has the molecular formula C9H22N2 and a molecular weight of 158.29 g/mol. Its IUPAC name is cyclohexane;N'-methylethane-1,2-diamine.

Molecular Properties

Compound Namecyclohexane;N'-methylethane-1,2-diamine
PubChem CID174878613
Molecular FormulaC9H22N2
Molecular Weight158.29 g/mol
Exact Mass158.18
IUPAC Namecyclohexane;N'-methylethane-1,2-diamine
SMILESC1CCCCC1.CNCCN
InChIInChI=1S/C6H12.C3H10N2/c1-2-4-6-5-3-1;1-5-3-2-4/h1-6H2;5H,2-4H2,1H3
InChIKeyJYFAUGXCFOLWTB-UHFFFAOYSA-N
XLogP1.51
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.29
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of cyclohexane;N'-methylethane-1,2-diamine?
The IUPAC name of cyclohexane;N'-methylethane-1,2-diamine (CID 174878613) is cyclohexane;N'-methylethane-1,2-diamine.
What is the SMILES notation for cyclohexane;N'-methylethane-1,2-diamine?
The canonical SMILES for cyclohexane;N'-methylethane-1,2-diamine is C1CCCCC1.CNCCN.
What is the InChIKey of cyclohexane;N'-methylethane-1,2-diamine?
The InChIKey is JYFAUGXCFOLWTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12.C3H10N2/c1-2-4-6-5-3-1;1-5-3-2-4/h1-6H2;5H,2-4H2,1H3.
What are the key properties of cyclohexane;N'-methylethane-1,2-diamine?
cyclohexane;N'-methylethane-1,2-diamine has a molecular weight of 158.29 g/mol, XLogP of 1.51, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexane;N'-methylethane-1,2-diamine is sourced from PubChem (CID 174878613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).