N-methylcyclooct-4-en-1-amine

C9H17N — CID 545923

IUPACN-methylcyclooct-4-en-1-amine
SMILESCNC1CCC=CCCC1
InChIInChI=1S/C9H17N/c1-10-9-7-5-3-2-4-6-8-9/h2-3,9-10H,4-8H2,1H3
InChIKeyYLWFMWYUGRIDGA-UHFFFAOYSA-N
MW139.24 g/mol
LogP2.09
Rot. Bonds1

About N-methylcyclooct-4-en-1-amine

N-methylcyclooct-4-en-1-amine (PubChem CID 545923) has the molecular formula C9H17N and a molecular weight of 139.24 g/mol. Its IUPAC name is N-methylcyclooct-4-en-1-amine.

Molecular Properties

Compound NameN-methylcyclooct-4-en-1-amine
PubChem CID545923
Molecular FormulaC9H17N
Molecular Weight139.24 g/mol
Exact Mass139.14
IUPAC NameN-methylcyclooct-4-en-1-amine
SMILESCNC1CCC=CCCC1
InChIInChI=1S/C9H17N/c1-10-9-7-5-3-2-4-6-8-9/h2-3,9-10H,4-8H2,1H3
InChIKeyYLWFMWYUGRIDGA-UHFFFAOYSA-N
XLogP2.09
TPSA12.03 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 ≤ 52.09
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 N-methylcyclooct-4-en-1-amine?
The IUPAC name of N-methylcyclooct-4-en-1-amine (CID 545923) is N-methylcyclooct-4-en-1-amine.
What is the SMILES notation for N-methylcyclooct-4-en-1-amine?
The canonical SMILES for N-methylcyclooct-4-en-1-amine is CNC1CCC=CCCC1.
What is the InChIKey of N-methylcyclooct-4-en-1-amine?
The InChIKey is YLWFMWYUGRIDGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N/c1-10-9-7-5-3-2-4-6-8-9/h2-3,9-10H,4-8H2,1H3.
What are the key properties of N-methylcyclooct-4-en-1-amine?
N-methylcyclooct-4-en-1-amine has a molecular weight of 139.24 g/mol, XLogP of 2.09, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methylcyclooct-4-en-1-amine is sourced from PubChem (CID 545923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).