(5E)-6-fluoro-1-N,1-N,2-N-trimethyl-4-methylideneocta-5,7-diene-1,2-diamine

C12H21FN2 — CID 142063945

IUPAC(5E)-6-fluoro-1-N,1-N,2-N-trimethyl-4-methylideneocta-5,7-diene-1,2-diamine
SMILESC=C/C(F)=C\C(=C)CC(CN(C)C)NC
InChIInChI=1S/C12H21FN2/c1-6-11(13)7-10(2)8-12(14-3)9-15(4)5/h6-7,12,14H,1-2,8-9H2,3-5H3/b11-7+
InChIKeySVEYOSOVAWDKFH-YRNVUSSQSA-N
MW212.31 g/mol
LogP2.12
Rot. Bonds7

About (5E)-6-fluoro-1-N,1-N,2-N-trimethyl-4-methylideneocta-5,7-diene-1,2-diamine

(5E)-6-fluoro-1-N,1-N,2-N-trimethyl-4-methylideneocta-5,7-diene-1,2-diamine (PubChem CID 142063945) has the molecular formula C12H21FN2 and a molecular weight of 212.31 g/mol. Its IUPAC name is (5E)-6-fluoro-1-N,1-N,2-N-trimethyl-4-methylideneocta-5,7-diene-1,2-diamine.

Molecular Properties

Compound Name(5E)-6-fluoro-1-N,1-N,2-N-trimethyl-4-methylideneocta-5,7-diene-1,2-diamine
PubChem CID142063945
Molecular FormulaC12H21FN2
Molecular Weight212.31 g/mol
Exact Mass212.17
IUPAC Name(5E)-6-fluoro-1-N,1-N,2-N-trimethyl-4-methylideneocta-5,7-diene-1,2-diamine
SMILESC=C/C(F)=C\C(=C)CC(CN(C)C)NC
InChIInChI=1S/C12H21FN2/c1-6-11(13)7-10(2)8-12(14-3)9-15(4)5/h6-7,12,14H,1-2,8-9H2,3-5H3/b11-7+
InChIKeySVEYOSOVAWDKFH-YRNVUSSQSA-N
XLogP2.12
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.31
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-[2-(6-Fluorocyclohexa-2,4-dien-1-ylidene)ethyl]-1,4-diazocane
CID 91215274
3-ethyl-6-fluoro-N-(2-piperidin-1-ylethyl)hepta-3,5-dien-2-amine
CID 124007959
N-[4-(1-aminoethyl)-6-(fluoromethyl)cyclohexa-2,4-dien-1-yl]-N',N'-diethylethane-1,2-diamine
CID 129289920
1-[4-[[Ethyl(methyl)amino]methyl]cyclohexa-1,5-dien-1-yl]-3-fluoropropan-2-amine
CID 129313214
(Z,5Z)-2-N-(2,2-difluorobutyl)-5-ethylidene-8-fluoro-2-N-methyloct-3-ene-2,7-diamine
CID 129313875
(1S,2S)-1-N,1-N,2-N-trimethyl-4-(trifluoromethyl)cyclohex-4-ene-1,2-diamine
CID 134429440
(1R,2R)-1-N,1-N,2-N-trimethyl-4-(trifluoromethyl)cyclohex-4-ene-1,2-diamine
CID 134459118
(E)-2-[(Z)-2-fluoroethenyl]-1-N-methylhept-2-ene-1,3-diamine
CID 134493447
(5Z)-N-(fluoromethyl)-3-methyl-4-methylideneocta-5,7-dien-2-amine
CID 137390775
N'-[(Z,9S)-9-fluoro-4-methylidenedec-5-enyl]-N-methylpropane-1,3-diamine
CID 137402236
(5Z,7E)-N-ethyl-8-(trifluoromethyl)deca-5,7,9-trien-2-amine
CID 138517685
(Z)-1-(2-fluorocyclohexa-1,3-dien-1-yl)-N-methylbut-2-en-1-amine
CID 138672545

Frequently Asked Questions

What is the IUPAC name of (5E)-6-fluoro-1-N,1-N,2-N-trimethyl-4-methylideneocta-5,7-diene-1,2-diamine?
The IUPAC name of (5E)-6-fluoro-1-N,1-N,2-N-trimethyl-4-methylideneocta-5,7-diene-1,2-diamine (CID 142063945) is (5E)-6-fluoro-1-N,1-N,2-N-trimethyl-4-methylideneocta-5,7-diene-1,2-diamine.
What is the SMILES notation for (5E)-6-fluoro-1-N,1-N,2-N-trimethyl-4-methylideneocta-5,7-diene-1,2-diamine?
The canonical SMILES for (5E)-6-fluoro-1-N,1-N,2-N-trimethyl-4-methylideneocta-5,7-diene-1,2-diamine is C=C/C(F)=C\C(=C)CC(CN(C)C)NC.
What is the InChIKey of (5E)-6-fluoro-1-N,1-N,2-N-trimethyl-4-methylideneocta-5,7-diene-1,2-diamine?
The InChIKey is SVEYOSOVAWDKFH-YRNVUSSQSA-N. The full InChI is InChI=1S/C12H21FN2/c1-6-11(13)7-10(2)8-12(14-3)9-15(4)5/h6-7,12,14H,1-2,8-9H2,3-5H3/b11-7+.
What are the key properties of (5E)-6-fluoro-1-N,1-N,2-N-trimethyl-4-methylideneocta-5,7-diene-1,2-diamine?
(5E)-6-fluoro-1-N,1-N,2-N-trimethyl-4-methylideneocta-5,7-diene-1,2-diamine has a molecular weight of 212.31 g/mol, XLogP of 2.12, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-6-fluoro-1-N,1-N,2-N-trimethyl-4-methylideneocta-5,7-diene-1,2-diamine is sourced from PubChem (CID 142063945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).