azane;2-(cyclohexen-1-yl)ethanamine

C8H18N2 — CID 22644426

IUPACazane;2-(cyclohexen-1-yl)ethanamine
SMILESN.NCCC1=CCCCC1
InChIInChI=1S/C8H15N.H3N/c9-7-6-8-4-2-1-3-5-8;/h4H,1-3,5-7,9H2;1H3
InChIKeyHIBYOKMCOGEGHM-UHFFFAOYSA-N
MW142.25 g/mol
LogP2.00
Rot. Bonds2

About azane;2-(cyclohexen-1-yl)ethanamine

azane;2-(cyclohexen-1-yl)ethanamine (PubChem CID 22644426) has the molecular formula C8H18N2 and a molecular weight of 142.25 g/mol. Its IUPAC name is azane;2-(cyclohexen-1-yl)ethanamine.

Molecular Properties

Compound Nameazane;2-(cyclohexen-1-yl)ethanamine
PubChem CID22644426
Molecular FormulaC8H18N2
Molecular Weight142.25 g/mol
Exact Mass142.15
IUPAC Nameazane;2-(cyclohexen-1-yl)ethanamine
SMILESN.NCCC1=CCCCC1
InChIInChI=1S/C8H15N.H3N/c9-7-6-8-4-2-1-3-5-8;/h4H,1-3,5-7,9H2;1H3
InChIKeyHIBYOKMCOGEGHM-UHFFFAOYSA-N
XLogP2.00
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.25
LogP ≤ 52.00
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;2-(cyclohexen-1-yl)ethanamine?
The IUPAC name of azane;2-(cyclohexen-1-yl)ethanamine (CID 22644426) is azane;2-(cyclohexen-1-yl)ethanamine.
What is the SMILES notation for azane;2-(cyclohexen-1-yl)ethanamine?
The canonical SMILES for azane;2-(cyclohexen-1-yl)ethanamine is N.NCCC1=CCCCC1.
What is the InChIKey of azane;2-(cyclohexen-1-yl)ethanamine?
The InChIKey is HIBYOKMCOGEGHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N.H3N/c9-7-6-8-4-2-1-3-5-8;/h4H,1-3,5-7,9H2;1H3.
What are the key properties of azane;2-(cyclohexen-1-yl)ethanamine?
azane;2-(cyclohexen-1-yl)ethanamine has a molecular weight of 142.25 g/mol, XLogP of 2.00, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for azane;2-(cyclohexen-1-yl)ethanamine is sourced from PubChem (CID 22644426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).