[(1E)-cycloocten-1-yl]methanamine

C9H17N — CID 22286912

IUPAC[(1E)-cycloocten-1-yl]methanamine
SMILESNC/C1=C/CCCCCC1
InChIInChI=1S/C9H17N/c10-8-9-6-4-2-1-3-5-7-9/h6H,1-5,7-8,10H2/b9-6+
InChIKeyMDFDPAAPIIIANC-RMKNXTFCSA-N
MW139.24 g/mol
LogP2.23
Rot. Bonds1

About [(1E)-cycloocten-1-yl]methanamine

[(1E)-cycloocten-1-yl]methanamine (PubChem CID 22286912) has the molecular formula C9H17N and a molecular weight of 139.24 g/mol. Its IUPAC name is [(1E)-cycloocten-1-yl]methanamine.

Molecular Properties

Compound Name[(1E)-cycloocten-1-yl]methanamine
PubChem CID22286912
Molecular FormulaC9H17N
Molecular Weight139.24 g/mol
Exact Mass139.14
IUPAC Name[(1E)-cycloocten-1-yl]methanamine
SMILESNC/C1=C/CCCCCC1
InChIInChI=1S/C9H17N/c10-8-9-6-4-2-1-3-5-7-9/h6H,1-5,7-8,10H2/b9-6+
InChIKeyMDFDPAAPIIIANC-RMKNXTFCSA-N
XLogP2.23
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 ≤ 52.23
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 [(1E)-cycloocten-1-yl]methanamine?
The IUPAC name of [(1E)-cycloocten-1-yl]methanamine (CID 22286912) is [(1E)-cycloocten-1-yl]methanamine.
What is the SMILES notation for [(1E)-cycloocten-1-yl]methanamine?
The canonical SMILES for [(1E)-cycloocten-1-yl]methanamine is NC/C1=C/CCCCCC1.
What is the InChIKey of [(1E)-cycloocten-1-yl]methanamine?
The InChIKey is MDFDPAAPIIIANC-RMKNXTFCSA-N. The full InChI is InChI=1S/C9H17N/c10-8-9-6-4-2-1-3-5-7-9/h6H,1-5,7-8,10H2/b9-6+.
What are the key properties of [(1E)-cycloocten-1-yl]methanamine?
[(1E)-cycloocten-1-yl]methanamine has a molecular weight of 139.24 g/mol, XLogP of 2.23, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(1E)-cycloocten-1-yl]methanamine is sourced from PubChem (CID 22286912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).