1-(cyclohexen-1-yl)ethane-1,1-diamine

C8H16N2 — CID 22286699

IUPAC1-(cyclohexen-1-yl)ethane-1,1-diamine
SMILESCC(N)(N)C1=CCCCC1
InChIInChI=1S/C8H16N2/c1-8(9,10)7-5-3-2-4-6-7/h5H,2-4,6,9-10H2,1H3
InChIKeyLHCRIAPEOKTGMA-UHFFFAOYSA-N
MW140.23 g/mol
LogP1.12
Rot. Bonds1

About 1-(cyclohexen-1-yl)ethane-1,1-diamine

1-(cyclohexen-1-yl)ethane-1,1-diamine (PubChem CID 22286699) has the molecular formula C8H16N2 and a molecular weight of 140.23 g/mol. Its IUPAC name is 1-(cyclohexen-1-yl)ethane-1,1-diamine.

Molecular Properties

Compound Name1-(cyclohexen-1-yl)ethane-1,1-diamine
PubChem CID22286699
Molecular FormulaC8H16N2
Molecular Weight140.23 g/mol
Exact Mass140.13
IUPAC Name1-(cyclohexen-1-yl)ethane-1,1-diamine
SMILESCC(N)(N)C1=CCCCC1
InChIInChI=1S/C8H16N2/c1-8(9,10)7-5-3-2-4-6-7/h5H,2-4,6,9-10H2,1H3
InChIKeyLHCRIAPEOKTGMA-UHFFFAOYSA-N
XLogP1.12
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.23
LogP ≤ 51.12
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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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexen-1-yl)ethane-1,1-diamine?
The IUPAC name of 1-(cyclohexen-1-yl)ethane-1,1-diamine (CID 22286699) is 1-(cyclohexen-1-yl)ethane-1,1-diamine.
What is the SMILES notation for 1-(cyclohexen-1-yl)ethane-1,1-diamine?
The canonical SMILES for 1-(cyclohexen-1-yl)ethane-1,1-diamine is CC(N)(N)C1=CCCCC1.
What is the InChIKey of 1-(cyclohexen-1-yl)ethane-1,1-diamine?
The InChIKey is LHCRIAPEOKTGMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2/c1-8(9,10)7-5-3-2-4-6-7/h5H,2-4,6,9-10H2,1H3.
What are the key properties of 1-(cyclohexen-1-yl)ethane-1,1-diamine?
1-(cyclohexen-1-yl)ethane-1,1-diamine has a molecular weight of 140.23 g/mol, XLogP of 1.12, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexen-1-yl)ethane-1,1-diamine is sourced from PubChem (CID 22286699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).