[(1Z,5Z)-2-methylcycloocta-1,5-dien-1-yl]methanamine

C10H17N — CID 89126680

IUPAC[(1Z,5Z)-2-methylcycloocta-1,5-dien-1-yl]methanamine
SMILESC/C1=C(\CN)CC/C=C\CC1
InChIInChI=1S/C10H17N/c1-9-6-4-2-3-5-7-10(9)8-11/h2-3H,4-8,11H2,1H3/b3-2-,10-9+
InChIKeySNJRJHHKKADTGH-TWCXWQTESA-N
MW151.25 g/mol
LogP2.39
Rot. Bonds1

About [(1Z,5Z)-2-methylcycloocta-1,5-dien-1-yl]methanamine

[(1Z,5Z)-2-methylcycloocta-1,5-dien-1-yl]methanamine (PubChem CID 89126680) has the molecular formula C10H17N and a molecular weight of 151.25 g/mol. Its IUPAC name is [(1Z,5Z)-2-methylcycloocta-1,5-dien-1-yl]methanamine.

Molecular Properties

Compound Name[(1Z,5Z)-2-methylcycloocta-1,5-dien-1-yl]methanamine
PubChem CID89126680
Molecular FormulaC10H17N
Molecular Weight151.25 g/mol
Exact Mass151.14
IUPAC Name[(1Z,5Z)-2-methylcycloocta-1,5-dien-1-yl]methanamine
SMILESC/C1=C(\CN)CC/C=C\CC1
InChIInChI=1S/C10H17N/c1-9-6-4-2-3-5-7-10(9)8-11/h2-3H,4-8,11H2,1H3/b3-2-,10-9+
InChIKeySNJRJHHKKADTGH-TWCXWQTESA-N
XLogP2.39
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.25
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze [(1Z,5Z)-2-methylcycloocta-1,5-dien-1-yl]methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [(1Z,5Z)-2-methylcycloocta-1,5-dien-1-yl]methanamine?
The IUPAC name of [(1Z,5Z)-2-methylcycloocta-1,5-dien-1-yl]methanamine (CID 89126680) is [(1Z,5Z)-2-methylcycloocta-1,5-dien-1-yl]methanamine.
What is the SMILES notation for [(1Z,5Z)-2-methylcycloocta-1,5-dien-1-yl]methanamine?
The canonical SMILES for [(1Z,5Z)-2-methylcycloocta-1,5-dien-1-yl]methanamine is C/C1=C(\CN)CC/C=C\CC1.
What is the InChIKey of [(1Z,5Z)-2-methylcycloocta-1,5-dien-1-yl]methanamine?
The InChIKey is SNJRJHHKKADTGH-TWCXWQTESA-N. The full InChI is InChI=1S/C10H17N/c1-9-6-4-2-3-5-7-10(9)8-11/h2-3H,4-8,11H2,1H3/b3-2-,10-9+.
What are the key properties of [(1Z,5Z)-2-methylcycloocta-1,5-dien-1-yl]methanamine?
[(1Z,5Z)-2-methylcycloocta-1,5-dien-1-yl]methanamine has a molecular weight of 151.25 g/mol, XLogP of 2.39, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(1Z,5Z)-2-methylcycloocta-1,5-dien-1-yl]methanamine is sourced from PubChem (CID 89126680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).