4-prop-2-enylcyclohexane-1,3-diamine

C9H18N2 — CID 66809827

IUPAC4-prop-2-enylcyclohexane-1,3-diamine
SMILESC=CCC1CCC(N)CC1N
InChIInChI=1S/C9H18N2/c1-2-3-7-4-5-8(10)6-9(7)11/h2,7-9H,1,3-6,10-11H2
InChIKeyGMKGECOWSQSLGJ-UHFFFAOYSA-N
MW154.26 g/mol
LogP1.02
Rot. Bonds2

About 4-prop-2-enylcyclohexane-1,3-diamine

4-prop-2-enylcyclohexane-1,3-diamine (PubChem CID 66809827) has the molecular formula C9H18N2 and a molecular weight of 154.26 g/mol. Its IUPAC name is 4-prop-2-enylcyclohexane-1,3-diamine.

Molecular Properties

Compound Name4-prop-2-enylcyclohexane-1,3-diamine
PubChem CID66809827
Molecular FormulaC9H18N2
Molecular Weight154.26 g/mol
Exact Mass154.15
IUPAC Name4-prop-2-enylcyclohexane-1,3-diamine
SMILESC=CCC1CCC(N)CC1N
InChIInChI=1S/C9H18N2/c1-2-3-7-4-5-8(10)6-9(7)11/h2,7-9H,1,3-6,10-11H2
InChIKeyGMKGECOWSQSLGJ-UHFFFAOYSA-N
XLogP1.02
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.26
LogP ≤ 51.02
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 4-prop-2-enylcyclohexane-1,3-diamine?
The IUPAC name of 4-prop-2-enylcyclohexane-1,3-diamine (CID 66809827) is 4-prop-2-enylcyclohexane-1,3-diamine.
What is the SMILES notation for 4-prop-2-enylcyclohexane-1,3-diamine?
The canonical SMILES for 4-prop-2-enylcyclohexane-1,3-diamine is C=CCC1CCC(N)CC1N.
What is the InChIKey of 4-prop-2-enylcyclohexane-1,3-diamine?
The InChIKey is GMKGECOWSQSLGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2/c1-2-3-7-4-5-8(10)6-9(7)11/h2,7-9H,1,3-6,10-11H2.
What are the key properties of 4-prop-2-enylcyclohexane-1,3-diamine?
4-prop-2-enylcyclohexane-1,3-diamine has a molecular weight of 154.26 g/mol, XLogP of 1.02, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-prop-2-enylcyclohexane-1,3-diamine is sourced from PubChem (CID 66809827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).