(1E,3Z)-cycloocta-1,3-dien-1-amine

C8H13N — CID 22286865

IUPAC(1E,3Z)-cycloocta-1,3-dien-1-amine
SMILESN/C1=C/C=C\CCCC1
InChIInChI=1S/C8H13N/c9-8-6-4-2-1-3-5-7-8/h2,4,6H,1,3,5,7,9H2/b4-2-,8-6+
InChIKeyZDKIUNFOUQCGGR-XSHHVMTCSA-N
MW123.20 g/mol
LogP1.96
Rot. Bonds

About (1E,3Z)-cycloocta-1,3-dien-1-amine

(1E,3Z)-cycloocta-1,3-dien-1-amine (PubChem CID 22286865) has the molecular formula C8H13N and a molecular weight of 123.20 g/mol. Its IUPAC name is (1E,3Z)-cycloocta-1,3-dien-1-amine.

Molecular Properties

Compound Name(1E,3Z)-cycloocta-1,3-dien-1-amine
PubChem CID22286865
Molecular FormulaC8H13N
Molecular Weight123.20 g/mol
Exact Mass123.10
IUPAC Name(1E,3Z)-cycloocta-1,3-dien-1-amine
SMILESN/C1=C/C=C\CCCC1
InChIInChI=1S/C8H13N/c9-8-6-4-2-1-3-5-7-8/h2,4,6H,1,3,5,7,9H2/b4-2-,8-6+
InChIKeyZDKIUNFOUQCGGR-XSHHVMTCSA-N
XLogP1.96
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.20
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (1E,3Z)-cycloocta-1,3-dien-1-amine?
The IUPAC name of (1E,3Z)-cycloocta-1,3-dien-1-amine (CID 22286865) is (1E,3Z)-cycloocta-1,3-dien-1-amine.
What is the SMILES notation for (1E,3Z)-cycloocta-1,3-dien-1-amine?
The canonical SMILES for (1E,3Z)-cycloocta-1,3-dien-1-amine is N/C1=C/C=C\CCCC1.
What is the InChIKey of (1E,3Z)-cycloocta-1,3-dien-1-amine?
The InChIKey is ZDKIUNFOUQCGGR-XSHHVMTCSA-N. The full InChI is InChI=1S/C8H13N/c9-8-6-4-2-1-3-5-7-8/h2,4,6H,1,3,5,7,9H2/b4-2-,8-6+.
What are the key properties of (1E,3Z)-cycloocta-1,3-dien-1-amine?
(1E,3Z)-cycloocta-1,3-dien-1-amine has a molecular weight of 123.20 g/mol, XLogP of 1.96, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1E,3Z)-cycloocta-1,3-dien-1-amine is sourced from PubChem (CID 22286865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).