(5-fluoro-3-methylcyclohepta-1,6-dien-1-yl)methanamine

C9H14FN — CID 91099450

IUPAC(5-fluoro-3-methylcyclohepta-1,6-dien-1-yl)methanamine
SMILESCC1C=C(CN)C=CC(F)C1
InChIInChI=1S/C9H14FN/c1-7-4-8(6-11)2-3-9(10)5-7/h2-4,7,9H,5-6,11H2,1H3
InChIKeyLASIAMKYTJTHCI-UHFFFAOYSA-N
MW155.22 g/mol
LogP1.81
Rot. Bonds1

About (5-fluoro-3-methylcyclohepta-1,6-dien-1-yl)methanamine

(5-fluoro-3-methylcyclohepta-1,6-dien-1-yl)methanamine (PubChem CID 91099450) has the molecular formula C9H14FN and a molecular weight of 155.22 g/mol. Its IUPAC name is (5-fluoro-3-methylcyclohepta-1,6-dien-1-yl)methanamine.

Molecular Properties

Compound Name(5-fluoro-3-methylcyclohepta-1,6-dien-1-yl)methanamine
PubChem CID91099450
Molecular FormulaC9H14FN
Molecular Weight155.22 g/mol
Exact Mass155.11
IUPAC Name(5-fluoro-3-methylcyclohepta-1,6-dien-1-yl)methanamine
SMILESCC1C=C(CN)C=CC(F)C1
InChIInChI=1S/C9H14FN/c1-7-4-8(6-11)2-3-9(10)5-7/h2-4,7,9H,5-6,11H2,1H3
InChIKeyLASIAMKYTJTHCI-UHFFFAOYSA-N
XLogP1.81
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.22
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (5-fluoro-3-methylcyclohepta-1,6-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

Related Compounds

(2E,4E)-5-fluoro-2-[(Z)-prop-1-enyl]hexa-2,4-dien-1-amine
CID 89084822
(Z)-5-fluoro-2-methylidenehept-3-en-1-amine
CID 89090828
(E)-2-ethenyl-5-fluorohex-2-en-1-amine
CID 89126655
[(4R)-4-fluoro-4-methylcyclohexa-1,5-dien-1-yl]methanamine
CID 89411614
(2Z,4Z)-2-ethenyl-4-ethyl-3-fluorohexa-2,4-dien-1-amine
CID 90066548
(4-Fluoro-5-methylcyclohexa-1,3-dien-1-yl)methanamine
CID 91394689
(5-Fluorocyclohepta-1,4,6-trien-1-yl)methanamine
CID 123258776
2-Ethenyl-4-(2-fluoroethyl)-5-methylhexa-2,5-dien-1-amine
CID 123558340
(4-Fluoro-2-methylcyclohexa-1,5-dien-1-yl)methanamine
CID 126756159
(2E,4Z,9Z,11Z)-2-ethenyl-5-(fluoromethyl)-4,8,13-trimethyl-6-methylideneheptadeca-2,4,9,11,16-pentaen-1-amine
CID 129267288
(Z)-3-ethenyl-7-fluoro-4-methylhept-2-en-1-amine
CID 130314599
(1Z,3Z)-7-fluoro-2,5-dimethylocta-1,3-dien-1-amine
CID 130384137

Frequently Asked Questions

What is the IUPAC name of (5-fluoro-3-methylcyclohepta-1,6-dien-1-yl)methanamine?
The IUPAC name of (5-fluoro-3-methylcyclohepta-1,6-dien-1-yl)methanamine (CID 91099450) is (5-fluoro-3-methylcyclohepta-1,6-dien-1-yl)methanamine.
What is the SMILES notation for (5-fluoro-3-methylcyclohepta-1,6-dien-1-yl)methanamine?
The canonical SMILES for (5-fluoro-3-methylcyclohepta-1,6-dien-1-yl)methanamine is CC1C=C(CN)C=CC(F)C1.
What is the InChIKey of (5-fluoro-3-methylcyclohepta-1,6-dien-1-yl)methanamine?
The InChIKey is LASIAMKYTJTHCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14FN/c1-7-4-8(6-11)2-3-9(10)5-7/h2-4,7,9H,5-6,11H2,1H3.
What are the key properties of (5-fluoro-3-methylcyclohepta-1,6-dien-1-yl)methanamine?
(5-fluoro-3-methylcyclohepta-1,6-dien-1-yl)methanamine has a molecular weight of 155.22 g/mol, XLogP of 1.81, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5-fluoro-3-methylcyclohepta-1,6-dien-1-yl)methanamine is sourced from PubChem (CID 91099450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).