(4E,6Z)-4-fluoro-N-methyl-3-methylideneocta-4,6-dien-1-amine

C10H16FN — CID 142112936

IUPAC(4E,6Z)-4-fluoro-N-methyl-3-methylideneocta-4,6-dien-1-amine
SMILESC=C(CCNC)/C(F)=C\C=C/C
InChIInChI=1S/C10H16FN/c1-4-5-6-10(11)9(2)7-8-12-3/h4-6,12H,2,7-8H2,1,3H3/b5-4-,10-6+
InChIKeyWHSHHKSICAWIMX-VWJYOPCBSA-N
MW169.24 g/mol
LogP2.58
Rot. Bonds5

About (4E,6Z)-4-fluoro-N-methyl-3-methylideneocta-4,6-dien-1-amine

(4E,6Z)-4-fluoro-N-methyl-3-methylideneocta-4,6-dien-1-amine (PubChem CID 142112936) has the molecular formula C10H16FN and a molecular weight of 169.24 g/mol. Its IUPAC name is (4E,6Z)-4-fluoro-N-methyl-3-methylideneocta-4,6-dien-1-amine.

Molecular Properties

Compound Name(4E,6Z)-4-fluoro-N-methyl-3-methylideneocta-4,6-dien-1-amine
PubChem CID142112936
Molecular FormulaC10H16FN
Molecular Weight169.24 g/mol
Exact Mass169.13
IUPAC Name(4E,6Z)-4-fluoro-N-methyl-3-methylideneocta-4,6-dien-1-amine
SMILESC=C(CCNC)/C(F)=C\C=C/C
InChIInChI=1S/C10H16FN/c1-4-5-6-10(11)9(2)7-8-12-3/h4-6,12H,2,7-8H2,1,3H3/b5-4-,10-6+
InChIKeyWHSHHKSICAWIMX-VWJYOPCBSA-N
XLogP2.58
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.24
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-Butyl-N-[(E)-3,5-hexadien-1-yl]amine
CID 59529047
2-cyclopenta-1,3-dien-1-yl-N-methylethanamine
CID 15392411
1-(4-fluorocyclohexa-1,5-dien-1-yl)-N-methylmethanamine
CID 70372203
(2E,3E)-2-ethylidene-4-fluoro-N-methylhexa-3,5-dien-1-amine
CID 88224148
(3Z,5E)-6-fluoro-N,2-dimethylocta-3,5,7-trien-1-amine
CID 88267348
2-(2-fluorocyclohexa-1,5-dien-1-yl)-N-methylethanamine
CID 89035224
1-(4-fluorocyclohexa-1,3-dien-1-yl)-N-methylmethanamine
CID 89097623
(3E,5E)-6-fluoro-3-methylocta-3,5,7-trien-1-amine
CID 89099064
(3Z)-N-(2-fluoroethyl)-3-[(Z)-prop-1-enyl]hexa-3,5-dien-1-amine
CID 89153630
5-[(1E)-2-fluorobuta-1,3-dienyl]-4-methyl-1,2,3,6-tetrahydropyridine
CID 89167830
(2E)-2-[(Z)-but-2-en-2-yl]-N-methyl-4-(trifluoromethyl)penta-2,4-dien-1-amine
CID 89228068
(Z,3Z)-3-(2-fluoroethylidene)hept-4-en-1-amine
CID 89295784

Frequently Asked Questions

What is the IUPAC name of (4E,6Z)-4-fluoro-N-methyl-3-methylideneocta-4,6-dien-1-amine?
The IUPAC name of (4E,6Z)-4-fluoro-N-methyl-3-methylideneocta-4,6-dien-1-amine (CID 142112936) is (4E,6Z)-4-fluoro-N-methyl-3-methylideneocta-4,6-dien-1-amine.
What is the SMILES notation for (4E,6Z)-4-fluoro-N-methyl-3-methylideneocta-4,6-dien-1-amine?
The canonical SMILES for (4E,6Z)-4-fluoro-N-methyl-3-methylideneocta-4,6-dien-1-amine is C=C(CCNC)/C(F)=C\C=C/C.
What is the InChIKey of (4E,6Z)-4-fluoro-N-methyl-3-methylideneocta-4,6-dien-1-amine?
The InChIKey is WHSHHKSICAWIMX-VWJYOPCBSA-N. The full InChI is InChI=1S/C10H16FN/c1-4-5-6-10(11)9(2)7-8-12-3/h4-6,12H,2,7-8H2,1,3H3/b5-4-,10-6+.
What are the key properties of (4E,6Z)-4-fluoro-N-methyl-3-methylideneocta-4,6-dien-1-amine?
(4E,6Z)-4-fluoro-N-methyl-3-methylideneocta-4,6-dien-1-amine has a molecular weight of 169.24 g/mol, XLogP of 2.58, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4E,6Z)-4-fluoro-N-methyl-3-methylideneocta-4,6-dien-1-amine is sourced from PubChem (CID 142112936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).