1-N-methyl-4-N-(2-prop-2-enylcyclopropyl)cyclohexane-1,4-diamine

C13H24N2 — CID 123540205

IUPAC1-N-methyl-4-N-(2-prop-2-enylcyclopropyl)cyclohexane-1,4-diamine
SMILESC=CCC1CC1NC1CCC(NC)CC1
InChIInChI=1S/C13H24N2/c1-3-4-10-9-13(10)15-12-7-5-11(14-2)6-8-12/h3,10-15H,1,4-9H2,2H3
InChIKeyZCQYXIKNJSRUNY-UHFFFAOYSA-N
MW208.35 g/mol
LogP2.07
Rot. Bonds5

About 1-N-methyl-4-N-(2-prop-2-enylcyclopropyl)cyclohexane-1,4-diamine

1-N-methyl-4-N-(2-prop-2-enylcyclopropyl)cyclohexane-1,4-diamine (PubChem CID 123540205) has the molecular formula C13H24N2 and a molecular weight of 208.35 g/mol. Its IUPAC name is 1-N-methyl-4-N-(2-prop-2-enylcyclopropyl)cyclohexane-1,4-diamine.

Molecular Properties

Compound Name1-N-methyl-4-N-(2-prop-2-enylcyclopropyl)cyclohexane-1,4-diamine
PubChem CID123540205
Molecular FormulaC13H24N2
Molecular Weight208.35 g/mol
Exact Mass208.19
IUPAC Name1-N-methyl-4-N-(2-prop-2-enylcyclopropyl)cyclohexane-1,4-diamine
SMILESC=CCC1CC1NC1CCC(NC)CC1
InChIInChI=1S/C13H24N2/c1-3-4-10-9-13(10)15-12-7-5-11(14-2)6-8-12/h3,10-15H,1,4-9H2,2H3
InChIKeyZCQYXIKNJSRUNY-UHFFFAOYSA-N
XLogP2.07
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.35
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-N-methyl-4-N-(2-prop-2-enylcyclopropyl)cyclohexane-1,4-diamine?
The IUPAC name of 1-N-methyl-4-N-(2-prop-2-enylcyclopropyl)cyclohexane-1,4-diamine (CID 123540205) is 1-N-methyl-4-N-(2-prop-2-enylcyclopropyl)cyclohexane-1,4-diamine.
What is the SMILES notation for 1-N-methyl-4-N-(2-prop-2-enylcyclopropyl)cyclohexane-1,4-diamine?
The canonical SMILES for 1-N-methyl-4-N-(2-prop-2-enylcyclopropyl)cyclohexane-1,4-diamine is C=CCC1CC1NC1CCC(NC)CC1.
What is the InChIKey of 1-N-methyl-4-N-(2-prop-2-enylcyclopropyl)cyclohexane-1,4-diamine?
The InChIKey is ZCQYXIKNJSRUNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2/c1-3-4-10-9-13(10)15-12-7-5-11(14-2)6-8-12/h3,10-15H,1,4-9H2,2H3.
What are the key properties of 1-N-methyl-4-N-(2-prop-2-enylcyclopropyl)cyclohexane-1,4-diamine?
1-N-methyl-4-N-(2-prop-2-enylcyclopropyl)cyclohexane-1,4-diamine has a molecular weight of 208.35 g/mol, XLogP of 2.07, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-methyl-4-N-(2-prop-2-enylcyclopropyl)cyclohexane-1,4-diamine is sourced from PubChem (CID 123540205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).