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

C9H18N2 — CID 22286843

IUPAC[(1E)-cycloocten-1-yl]methanediamine
SMILESNC(N)/C1=C/CCCCCC1
InChIInChI=1S/C9H18N2/c10-9(11)8-6-4-2-1-3-5-7-8/h6,9H,1-5,7,10-11H2/b8-6+
InChIKeyYGEOCBOBPSMTED-SOFGYWHQSA-N
MW154.26 g/mol
LogP1.51
Rot. Bonds1

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

[(1E)-cycloocten-1-yl]methanediamine (PubChem CID 22286843) has the molecular formula C9H18N2 and a molecular weight of 154.26 g/mol. Its IUPAC name is [(1E)-cycloocten-1-yl]methanediamine.

Molecular Properties

Compound Name[(1E)-cycloocten-1-yl]methanediamine
PubChem CID22286843
Molecular FormulaC9H18N2
Molecular Weight154.26 g/mol
Exact Mass154.15
IUPAC Name[(1E)-cycloocten-1-yl]methanediamine
SMILESNC(N)/C1=C/CCCCCC1
InChIInChI=1S/C9H18N2/c10-9(11)8-6-4-2-1-3-5-7-8/h6,9H,1-5,7,10-11H2/b8-6+
InChIKeyYGEOCBOBPSMTED-SOFGYWHQSA-N
XLogP1.51
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.26
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(1E)-cycloocten-1-yl]methanediamine?
The IUPAC name of [(1E)-cycloocten-1-yl]methanediamine (CID 22286843) is [(1E)-cycloocten-1-yl]methanediamine.
What is the SMILES notation for [(1E)-cycloocten-1-yl]methanediamine?
The canonical SMILES for [(1E)-cycloocten-1-yl]methanediamine is NC(N)/C1=C/CCCCCC1.
What is the InChIKey of [(1E)-cycloocten-1-yl]methanediamine?
The InChIKey is YGEOCBOBPSMTED-SOFGYWHQSA-N. The full InChI is InChI=1S/C9H18N2/c10-9(11)8-6-4-2-1-3-5-7-8/h6,9H,1-5,7,10-11H2/b8-6+.
What are the key properties of [(1E)-cycloocten-1-yl]methanediamine?
[(1E)-cycloocten-1-yl]methanediamine has a molecular weight of 154.26 g/mol, XLogP of 1.51, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1E)-cycloocten-1-yl]methanediamine is sourced from PubChem (CID 22286843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).