(1Z,3Z)-4-fluoro-1-N,3-N,3-N-trimethylhexa-1,3,5-triene-1,3-diamine

C9H15FN2 — CID 126490173

IUPAC(1Z,3Z)-4-fluoro-1-N,3-N,3-N-trimethylhexa-1,3,5-triene-1,3-diamine
SMILESC=C/C(F)=C(\C=C/NC)N(C)C
InChIInChI=1S/C9H15FN2/c1-5-8(10)9(12(3)4)6-7-11-2/h5-7,11H,1H2,2-4H3/b7-6-,9-8-
InChIKeyYVBWERMFFRTELH-JPDBVBESSA-N
MW170.23 g/mol
LogP1.65
Rot. Bonds4

About (1Z,3Z)-4-fluoro-1-N,3-N,3-N-trimethylhexa-1,3,5-triene-1,3-diamine

(1Z,3Z)-4-fluoro-1-N,3-N,3-N-trimethylhexa-1,3,5-triene-1,3-diamine (PubChem CID 126490173) has the molecular formula C9H15FN2 and a molecular weight of 170.23 g/mol. Its IUPAC name is (1Z,3Z)-4-fluoro-1-N,3-N,3-N-trimethylhexa-1,3,5-triene-1,3-diamine.

Molecular Properties

Compound Name(1Z,3Z)-4-fluoro-1-N,3-N,3-N-trimethylhexa-1,3,5-triene-1,3-diamine
PubChem CID126490173
Molecular FormulaC9H15FN2
Molecular Weight170.23 g/mol
Exact Mass170.12
IUPAC Name(1Z,3Z)-4-fluoro-1-N,3-N,3-N-trimethylhexa-1,3,5-triene-1,3-diamine
SMILESC=C/C(F)=C(\C=C/NC)N(C)C
InChIInChI=1S/C9H15FN2/c1-5-8(10)9(12(3)4)6-7-11-2/h5-7,11H,1H2,2-4H3/b7-6-,9-8-
InChIKeyYVBWERMFFRTELH-JPDBVBESSA-N
XLogP1.65
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.23
LogP ≤ 51.65
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

Dihydro 4-dimethylamino pyridine
CID 424917
(1E,3E)-4-fluoro-1-N,1-N-dimethylhexa-1,3,5-triene-1,2-diamine
CID 130256401
(2E,4Z,6Z)-2-N-ethenyl-4-fluoroocta-2,4,6-triene-2,5-diamine
CID 137466729
(3E,5E)-6-fluoro-N-methylhepta-1,3,5-trien-3-amine
CID 139341995
(2E)-N-ethenyl-4-fluoropenta-2,4-dien-2-amine
CID 139473335
(2E,4Z,6E)-7-fluoro-N-methylhepta-2,4,6-trien-3-amine
CID 141822129
3-Fluoro-1,2-dihydropyridin-4-amine
CID 144428312
(2E,4Z)-N-(2-fluoroethyl)hepta-2,4,6-trien-3-amine
CID 144877773
(Z)-N'-[(2E)-4-fluoropenta-2,4-dien-2-yl]-N,N'-dimethylethene-1,2-diamine
CID 146644462
(2E,4Z)-6-fluoro-N-methylhepta-2,4,6-trien-3-amine
CID 156280311
(Z)-N-(3-fluorobuta-1,3-dien-2-yl)-N'-(2-fluoroethyl)-N'-methylethene-1,2-diamine
CID 163675939
(1E,3Z)-4-N-ethyl-1-fluoro-4-N-[(E)-2-fluoroethenyl]penta-1,3-diene-1,4-diamine
CID 163900913

Frequently Asked Questions

What is the IUPAC name of (1Z,3Z)-4-fluoro-1-N,3-N,3-N-trimethylhexa-1,3,5-triene-1,3-diamine?
The IUPAC name of (1Z,3Z)-4-fluoro-1-N,3-N,3-N-trimethylhexa-1,3,5-triene-1,3-diamine (CID 126490173) is (1Z,3Z)-4-fluoro-1-N,3-N,3-N-trimethylhexa-1,3,5-triene-1,3-diamine.
What is the SMILES notation for (1Z,3Z)-4-fluoro-1-N,3-N,3-N-trimethylhexa-1,3,5-triene-1,3-diamine?
The canonical SMILES for (1Z,3Z)-4-fluoro-1-N,3-N,3-N-trimethylhexa-1,3,5-triene-1,3-diamine is C=C/C(F)=C(\C=C/NC)N(C)C.
What is the InChIKey of (1Z,3Z)-4-fluoro-1-N,3-N,3-N-trimethylhexa-1,3,5-triene-1,3-diamine?
The InChIKey is YVBWERMFFRTELH-JPDBVBESSA-N. The full InChI is InChI=1S/C9H15FN2/c1-5-8(10)9(12(3)4)6-7-11-2/h5-7,11H,1H2,2-4H3/b7-6-,9-8-.
What are the key properties of (1Z,3Z)-4-fluoro-1-N,3-N,3-N-trimethylhexa-1,3,5-triene-1,3-diamine?
(1Z,3Z)-4-fluoro-1-N,3-N,3-N-trimethylhexa-1,3,5-triene-1,3-diamine has a molecular weight of 170.23 g/mol, XLogP of 1.65, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z,3Z)-4-fluoro-1-N,3-N,3-N-trimethylhexa-1,3,5-triene-1,3-diamine is sourced from PubChem (CID 126490173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).