2-prop-2-enylcyclohexane-1,1-diamine

C9H18N2 — CID 175214314

IUPAC2-prop-2-enylcyclohexane-1,1-diamine
SMILESC=CCC1CCCCC1(N)N
InChIInChI=1S/C9H18N2/c1-2-5-8-6-3-4-7-9(8,10)11/h2,8H,1,3-7,10-11H2
InChIKeyQLJISSDWABIMKA-UHFFFAOYSA-N
MW154.26 g/mol
LogP1.37
Rot. Bonds2

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

2-prop-2-enylcyclohexane-1,1-diamine (PubChem CID 175214314) has the molecular formula C9H18N2 and a molecular weight of 154.26 g/mol. Its IUPAC name is 2-prop-2-enylcyclohexane-1,1-diamine.

Molecular Properties

Compound Name2-prop-2-enylcyclohexane-1,1-diamine
PubChem CID175214314
Molecular FormulaC9H18N2
Molecular Weight154.26 g/mol
Exact Mass154.15
IUPAC Name2-prop-2-enylcyclohexane-1,1-diamine
SMILESC=CCC1CCCCC1(N)N
InChIInChI=1S/C9H18N2/c1-2-5-8-6-3-4-7-9(8,10)11/h2,8H,1,3-7,10-11H2
InChIKeyQLJISSDWABIMKA-UHFFFAOYSA-N
XLogP1.37
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 ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-prop-2-enylcyclohexane-1,1-diamine?
The IUPAC name of 2-prop-2-enylcyclohexane-1,1-diamine (CID 175214314) is 2-prop-2-enylcyclohexane-1,1-diamine.
What is the SMILES notation for 2-prop-2-enylcyclohexane-1,1-diamine?
The canonical SMILES for 2-prop-2-enylcyclohexane-1,1-diamine is C=CCC1CCCCC1(N)N.
What is the InChIKey of 2-prop-2-enylcyclohexane-1,1-diamine?
The InChIKey is QLJISSDWABIMKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2/c1-2-5-8-6-3-4-7-9(8,10)11/h2,8H,1,3-7,10-11H2.
What are the key properties of 2-prop-2-enylcyclohexane-1,1-diamine?
2-prop-2-enylcyclohexane-1,1-diamine has a molecular weight of 154.26 g/mol, XLogP of 1.37, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-prop-2-enylcyclohexane-1,1-diamine is sourced from PubChem (CID 175214314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).