1-cycloocta-1,3-dien-1-ylethane-1,1-diamine

C10H18N2 — CID 68742743

IUPAC1-cycloocta-1,3-dien-1-ylethane-1,1-diamine
SMILESCC(N)(N)C1=CC=CCCCC1
InChIInChI=1S/C10H18N2/c1-10(11,12)9-7-5-3-2-4-6-8-9/h3,5,7H,2,4,6,8,11-12H2,1H3
InChIKeyHSMBOUUEPLOMCG-UHFFFAOYSA-N
MW166.27 g/mol
LogP1.68
Rot. Bonds1

About 1-cycloocta-1,3-dien-1-ylethane-1,1-diamine

1-cycloocta-1,3-dien-1-ylethane-1,1-diamine (PubChem CID 68742743) has the molecular formula C10H18N2 and a molecular weight of 166.27 g/mol. Its IUPAC name is 1-cycloocta-1,3-dien-1-ylethane-1,1-diamine.

Molecular Properties

Compound Name1-cycloocta-1,3-dien-1-ylethane-1,1-diamine
PubChem CID68742743
Molecular FormulaC10H18N2
Molecular Weight166.27 g/mol
Exact Mass166.15
IUPAC Name1-cycloocta-1,3-dien-1-ylethane-1,1-diamine
SMILESCC(N)(N)C1=CC=CCCCC1
InChIInChI=1S/C10H18N2/c1-10(11,12)9-7-5-3-2-4-6-8-9/h3,5,7H,2,4,6,8,11-12H2,1H3
InChIKeyHSMBOUUEPLOMCG-UHFFFAOYSA-N
XLogP1.68
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.27
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-cycloocta-1,3-dien-1-ylethane-1,1-diamine?
The IUPAC name of 1-cycloocta-1,3-dien-1-ylethane-1,1-diamine (CID 68742743) is 1-cycloocta-1,3-dien-1-ylethane-1,1-diamine.
What is the SMILES notation for 1-cycloocta-1,3-dien-1-ylethane-1,1-diamine?
The canonical SMILES for 1-cycloocta-1,3-dien-1-ylethane-1,1-diamine is CC(N)(N)C1=CC=CCCCC1.
What is the InChIKey of 1-cycloocta-1,3-dien-1-ylethane-1,1-diamine?
The InChIKey is HSMBOUUEPLOMCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2/c1-10(11,12)9-7-5-3-2-4-6-8-9/h3,5,7H,2,4,6,8,11-12H2,1H3.
What are the key properties of 1-cycloocta-1,3-dien-1-ylethane-1,1-diamine?
1-cycloocta-1,3-dien-1-ylethane-1,1-diamine has a molecular weight of 166.27 g/mol, XLogP of 1.68, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cycloocta-1,3-dien-1-ylethane-1,1-diamine is sourced from PubChem (CID 68742743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).