(2S,5Z,8E)-8-fluoro-2-methanimidoyl-7-methyl-4-methylidenedeca-5,8-dien-1-amine

C13H21FN2 — CID 163413862

IUPAC(2S,5Z,8E)-8-fluoro-2-methanimidoyl-7-methyl-4-methylidenedeca-5,8-dien-1-amine
SMILES[H]/N=C/[C@H](CN)CC(=C)/C=C\C(C)/C(F)=C\C
InChIInChI=1S/C13H21FN2/c1-4-13(14)11(3)6-5-10(2)7-12(8-15)9-16/h4-6,8,11-12,15H,2,7,9,16H2,1,3H3/b6-5-,13-4+,15-8+/t11?,12-/m1/s1
InChIKeyACTAQCRTHOGANE-BWIRKDQQSA-N
MW224.32 g/mol
LogP3.22
Rot. Bonds7

About (2S,5Z,8E)-8-fluoro-2-methanimidoyl-7-methyl-4-methylidenedeca-5,8-dien-1-amine

(2S,5Z,8E)-8-fluoro-2-methanimidoyl-7-methyl-4-methylidenedeca-5,8-dien-1-amine (PubChem CID 163413862) has the molecular formula C13H21FN2 and a molecular weight of 224.32 g/mol. Its IUPAC name is (2S,5Z,8E)-8-fluoro-2-methanimidoyl-7-methyl-4-methylidenedeca-5,8-dien-1-amine.

Molecular Properties

Compound Name(2S,5Z,8E)-8-fluoro-2-methanimidoyl-7-methyl-4-methylidenedeca-5,8-dien-1-amine
PubChem CID163413862
Molecular FormulaC13H21FN2
Molecular Weight224.32 g/mol
Exact Mass224.17
IUPAC Name(2S,5Z,8E)-8-fluoro-2-methanimidoyl-7-methyl-4-methylidenedeca-5,8-dien-1-amine
SMILES[H]/N=C/[C@H](CN)CC(=C)/C=C\C(C)/C(F)=C\C
InChIInChI=1S/C13H21FN2/c1-4-13(14)11(3)6-5-10(2)7-12(8-15)9-16/h4-6,8,11-12,15H,2,7,9,16H2,1,3H3/b6-5-,13-4+,15-8+/t11?,12-/m1/s1
InChIKeyACTAQCRTHOGANE-BWIRKDQQSA-N
XLogP3.22
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.32
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze (2S,5Z,8E)-8-fluoro-2-methanimidoyl-7-methyl-4-methylidenedeca-5,8-dien-1-amine 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

(4-Fluoro-5-methylcyclohexa-2,4-dien-1-yl)methanimine
CID 163700177
(Z)-2-ethenyl-4-[(Z)-2-fluoroethenyl]hept-4-en-1-amine
CID 164159067
3-Methanimidoyl-5-methyloct-5-en-1-amine
CID 123629211
(4Z)-4-(2-iminoethyl)hepta-4,6-dien-1-amine
CID 123670318
(E,3E)-3-ethylidene-2-(methyliminomethyl)oct-5-en-1-amine
CID 126536282
2-[[(Z)-2-methyl-4-methylidenehept-5-enylidene]amino]ethanamine
CID 137399818
(5Z,6Z)-5-butan-2-ylidene-3-methanimidoyl-8-methylnona-6,8-dien-2-amine
CID 174246586
(5Z)-5-methanimidoyl-4-methylocta-5,7-dien-1-amine
CID 176964311

Frequently Asked Questions

What is the IUPAC name of (2S,5Z,8E)-8-fluoro-2-methanimidoyl-7-methyl-4-methylidenedeca-5,8-dien-1-amine?
The IUPAC name of (2S,5Z,8E)-8-fluoro-2-methanimidoyl-7-methyl-4-methylidenedeca-5,8-dien-1-amine (CID 163413862) is (2S,5Z,8E)-8-fluoro-2-methanimidoyl-7-methyl-4-methylidenedeca-5,8-dien-1-amine.
What is the SMILES notation for (2S,5Z,8E)-8-fluoro-2-methanimidoyl-7-methyl-4-methylidenedeca-5,8-dien-1-amine?
The canonical SMILES for (2S,5Z,8E)-8-fluoro-2-methanimidoyl-7-methyl-4-methylidenedeca-5,8-dien-1-amine is [H]/N=C/[C@H](CN)CC(=C)/C=C\C(C)/C(F)=C\C.
What is the InChIKey of (2S,5Z,8E)-8-fluoro-2-methanimidoyl-7-methyl-4-methylidenedeca-5,8-dien-1-amine?
The InChIKey is ACTAQCRTHOGANE-BWIRKDQQSA-N. The full InChI is InChI=1S/C13H21FN2/c1-4-13(14)11(3)6-5-10(2)7-12(8-15)9-16/h4-6,8,11-12,15H,2,7,9,16H2,1,3H3/b6-5-,13-4+,15-8+/t11?,12-/m1/s1.
What are the key properties of (2S,5Z,8E)-8-fluoro-2-methanimidoyl-7-methyl-4-methylidenedeca-5,8-dien-1-amine?
(2S,5Z,8E)-8-fluoro-2-methanimidoyl-7-methyl-4-methylidenedeca-5,8-dien-1-amine has a molecular weight of 224.32 g/mol, XLogP of 3.22, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,5Z,8E)-8-fluoro-2-methanimidoyl-7-methyl-4-methylidenedeca-5,8-dien-1-amine is sourced from PubChem (CID 163413862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).