azane;N-prop-2-enylcyclohexanamine

C9H20N2 — CID 22328045

IUPACazane;N-prop-2-enylcyclohexanamine
SMILESC=CCNC1CCCCC1.N
InChIInChI=1S/C9H17N.H3N/c1-2-8-10-9-6-4-3-5-7-9;/h2,9-10H,1,3-8H2;1H3
InChIKeyOTAOXITZTPAUBT-UHFFFAOYSA-N
MW156.27 g/mol
LogP2.26
Rot. Bonds3

About azane;N-prop-2-enylcyclohexanamine

azane;N-prop-2-enylcyclohexanamine (PubChem CID 22328045) has the molecular formula C9H20N2 and a molecular weight of 156.27 g/mol. Its IUPAC name is azane;N-prop-2-enylcyclohexanamine.

Molecular Properties

Compound Nameazane;N-prop-2-enylcyclohexanamine
PubChem CID22328045
Molecular FormulaC9H20N2
Molecular Weight156.27 g/mol
Exact Mass156.16
IUPAC Nameazane;N-prop-2-enylcyclohexanamine
SMILESC=CCNC1CCCCC1.N
InChIInChI=1S/C9H17N.H3N/c1-2-8-10-9-6-4-3-5-7-9;/h2,9-10H,1,3-8H2;1H3
InChIKeyOTAOXITZTPAUBT-UHFFFAOYSA-N
XLogP2.26
TPSA47.03 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.27
LogP ≤ 52.26
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 azane;N-prop-2-enylcyclohexanamine?
The IUPAC name of azane;N-prop-2-enylcyclohexanamine (CID 22328045) is azane;N-prop-2-enylcyclohexanamine.
What is the SMILES notation for azane;N-prop-2-enylcyclohexanamine?
The canonical SMILES for azane;N-prop-2-enylcyclohexanamine is C=CCNC1CCCCC1.N.
What is the InChIKey of azane;N-prop-2-enylcyclohexanamine?
The InChIKey is OTAOXITZTPAUBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N.H3N/c1-2-8-10-9-6-4-3-5-7-9;/h2,9-10H,1,3-8H2;1H3.
What are the key properties of azane;N-prop-2-enylcyclohexanamine?
azane;N-prop-2-enylcyclohexanamine has a molecular weight of 156.27 g/mol, XLogP of 2.26, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for azane;N-prop-2-enylcyclohexanamine is sourced from PubChem (CID 22328045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).