(3E)-cyclooct-3-en-1-amine

C8H15N — CID 139404847

IUPAC(3E)-cyclooct-3-en-1-amine
SMILESNC1C/C=C\CCCC1
InChIInChI=1S/C8H15N/c9-8-6-4-2-1-3-5-7-8/h2,4,8H,1,3,5-7,9H2/b4-2-
InChIKeyXYHQVAPHEPCBGJ-RQOWECAXSA-N
MW125.21 g/mol
LogP1.83
Rot. Bonds

About (3E)-cyclooct-3-en-1-amine

(3E)-cyclooct-3-en-1-amine (PubChem CID 139404847) has the molecular formula C8H15N and a molecular weight of 125.21 g/mol. Its IUPAC name is (3E)-cyclooct-3-en-1-amine.

Molecular Properties

Compound Name(3E)-cyclooct-3-en-1-amine
PubChem CID139404847
Molecular FormulaC8H15N
Molecular Weight125.21 g/mol
Exact Mass125.12
IUPAC Name(3E)-cyclooct-3-en-1-amine
SMILESNC1C/C=C\CCCC1
InChIInChI=1S/C8H15N/c9-8-6-4-2-1-3-5-7-8/h2,4,8H,1,3,5-7,9H2/b4-2-
InChIKeyXYHQVAPHEPCBGJ-RQOWECAXSA-N
XLogP1.83
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.21
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 (3E)-cyclooct-3-en-1-amine?
The IUPAC name of (3E)-cyclooct-3-en-1-amine (CID 139404847) is (3E)-cyclooct-3-en-1-amine.
What is the SMILES notation for (3E)-cyclooct-3-en-1-amine?
The canonical SMILES for (3E)-cyclooct-3-en-1-amine is NC1C/C=C\CCCC1.
What is the InChIKey of (3E)-cyclooct-3-en-1-amine?
The InChIKey is XYHQVAPHEPCBGJ-RQOWECAXSA-N. The full InChI is InChI=1S/C8H15N/c9-8-6-4-2-1-3-5-7-8/h2,4,8H,1,3,5-7,9H2/b4-2-.
What are the key properties of (3E)-cyclooct-3-en-1-amine?
(3E)-cyclooct-3-en-1-amine has a molecular weight of 125.21 g/mol, XLogP of 1.83, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-cyclooct-3-en-1-amine is sourced from PubChem (CID 139404847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).