[(4Z)-cyclooct-4-en-1-yl]methanamine

C9H17N — CID 55288723

IUPAC[(4Z)-cyclooct-4-en-1-yl]methanamine
SMILESNCC1CC/C=C\CCC1
InChIInChI=1S/C9H17N/c10-8-9-6-4-2-1-3-5-7-9/h1-2,9H,3-8,10H2/b2-1-
InChIKeyVVDVYPRTAZHSQZ-UPHRSURJSA-N
MW139.24 g/mol
LogP2.08
Rot. Bonds1

About [(4Z)-cyclooct-4-en-1-yl]methanamine

[(4Z)-cyclooct-4-en-1-yl]methanamine (PubChem CID 55288723) has the molecular formula C9H17N and a molecular weight of 139.24 g/mol. Its IUPAC name is [(4Z)-cyclooct-4-en-1-yl]methanamine.

Molecular Properties

Compound Name[(4Z)-cyclooct-4-en-1-yl]methanamine
PubChem CID55288723
Molecular FormulaC9H17N
Molecular Weight139.24 g/mol
Exact Mass139.14
IUPAC Name[(4Z)-cyclooct-4-en-1-yl]methanamine
SMILESNCC1CC/C=C\CCC1
InChIInChI=1S/C9H17N/c10-8-9-6-4-2-1-3-5-7-9/h1-2,9H,3-8,10H2/b2-1-
InChIKeyVVDVYPRTAZHSQZ-UPHRSURJSA-N
XLogP2.08
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.24
LogP ≤ 52.08
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 [(4Z)-cyclooct-4-en-1-yl]methanamine?
The IUPAC name of [(4Z)-cyclooct-4-en-1-yl]methanamine (CID 55288723) is [(4Z)-cyclooct-4-en-1-yl]methanamine.
What is the SMILES notation for [(4Z)-cyclooct-4-en-1-yl]methanamine?
The canonical SMILES for [(4Z)-cyclooct-4-en-1-yl]methanamine is NCC1CC/C=C\CCC1.
What is the InChIKey of [(4Z)-cyclooct-4-en-1-yl]methanamine?
The InChIKey is VVDVYPRTAZHSQZ-UPHRSURJSA-N. The full InChI is InChI=1S/C9H17N/c10-8-9-6-4-2-1-3-5-7-9/h1-2,9H,3-8,10H2/b2-1-.
What are the key properties of [(4Z)-cyclooct-4-en-1-yl]methanamine?
[(4Z)-cyclooct-4-en-1-yl]methanamine has a molecular weight of 139.24 g/mol, XLogP of 2.08, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(4Z)-cyclooct-4-en-1-yl]methanamine is sourced from PubChem (CID 55288723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).