2-prop-1-en-2-ylcyclohexane-1,4-diamine

C9H18N2 — CID 148827546

IUPAC2-prop-1-en-2-ylcyclohexane-1,4-diamine
SMILESC=C(C)C1CC(N)CCC1N
InChIInChI=1S/C9H18N2/c1-6(2)8-5-7(10)3-4-9(8)11/h7-9H,1,3-5,10-11H2,2H3
InChIKeyOTAMLYOKIWBXJM-UHFFFAOYSA-N
MW154.26 g/mol
LogP1.02
Rot. Bonds1

About 2-prop-1-en-2-ylcyclohexane-1,4-diamine

2-prop-1-en-2-ylcyclohexane-1,4-diamine (PubChem CID 148827546) has the molecular formula C9H18N2 and a molecular weight of 154.26 g/mol. Its IUPAC name is 2-prop-1-en-2-ylcyclohexane-1,4-diamine.

Molecular Properties

Compound Name2-prop-1-en-2-ylcyclohexane-1,4-diamine
PubChem CID148827546
Molecular FormulaC9H18N2
Molecular Weight154.26 g/mol
Exact Mass154.15
IUPAC Name2-prop-1-en-2-ylcyclohexane-1,4-diamine
SMILESC=C(C)C1CC(N)CCC1N
InChIInChI=1S/C9H18N2/c1-6(2)8-5-7(10)3-4-9(8)11/h7-9H,1,3-5,10-11H2,2H3
InChIKeyOTAMLYOKIWBXJM-UHFFFAOYSA-N
XLogP1.02
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
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 2-prop-1-en-2-ylcyclohexane-1,4-diamine?
The IUPAC name of 2-prop-1-en-2-ylcyclohexane-1,4-diamine (CID 148827546) is 2-prop-1-en-2-ylcyclohexane-1,4-diamine.
What is the SMILES notation for 2-prop-1-en-2-ylcyclohexane-1,4-diamine?
The canonical SMILES for 2-prop-1-en-2-ylcyclohexane-1,4-diamine is C=C(C)C1CC(N)CCC1N.
What is the InChIKey of 2-prop-1-en-2-ylcyclohexane-1,4-diamine?
The InChIKey is OTAMLYOKIWBXJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2/c1-6(2)8-5-7(10)3-4-9(8)11/h7-9H,1,3-5,10-11H2,2H3.
What are the key properties of 2-prop-1-en-2-ylcyclohexane-1,4-diamine?
2-prop-1-en-2-ylcyclohexane-1,4-diamine has a molecular weight of 154.26 g/mol, XLogP of 1.02, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-prop-1-en-2-ylcyclohexane-1,4-diamine is sourced from PubChem (CID 148827546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).