N'-[(2E,4Z)-6-fluorohepta-2,4,6-trien-3-yl]-N,N'-dimethylethane-1,2-diamine

C11H19FN2 — CID 143191827

IUPACN'-[(2E,4Z)-6-fluorohepta-2,4,6-trien-3-yl]-N,N'-dimethylethane-1,2-diamine
SMILESC=C(F)/C=C\C(=C/C)N(C)CCNC
InChIInChI=1S/C11H19FN2/c1-5-11(7-6-10(2)12)14(4)9-8-13-3/h5-7,13H,2,8-9H2,1,3-4H3/b7-6-,11-5+
InChIKeyQNOYCIRYPFKSPZ-TUKAJDRUSA-N
MW198.28 g/mol
LogP2.08
Rot. Bonds6

About N'-[(2E,4Z)-6-fluorohepta-2,4,6-trien-3-yl]-N,N'-dimethylethane-1,2-diamine

N'-[(2E,4Z)-6-fluorohepta-2,4,6-trien-3-yl]-N,N'-dimethylethane-1,2-diamine (PubChem CID 143191827) has the molecular formula C11H19FN2 and a molecular weight of 198.28 g/mol. Its IUPAC name is N'-[(2E,4Z)-6-fluorohepta-2,4,6-trien-3-yl]-N,N'-dimethylethane-1,2-diamine.

Molecular Properties

Compound NameN'-[(2E,4Z)-6-fluorohepta-2,4,6-trien-3-yl]-N,N'-dimethylethane-1,2-diamine
PubChem CID143191827
Molecular FormulaC11H19FN2
Molecular Weight198.28 g/mol
Exact Mass198.15
IUPAC NameN'-[(2E,4Z)-6-fluorohepta-2,4,6-trien-3-yl]-N,N'-dimethylethane-1,2-diamine
SMILESC=C(F)/C=C\C(=C/C)N(C)CCNC
InChIInChI=1S/C11H19FN2/c1-5-11(7-6-10(2)12)14(4)9-8-13-3/h5-7,13H,2,8-9H2,1,3-4H3/b7-6-,11-5+
InChIKeyQNOYCIRYPFKSPZ-TUKAJDRUSA-N
XLogP2.08
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.28
LogP ≤ 52.08
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

3-N,1-dimethyl-6-(trifluoromethyl)-2H-pyridine-3,4-diamine
CID 122640398
1-(4-Fluorohexa-2,4-dien-3-yl)piperazine
CID 123849712
4-N-(2-fluoroethyl)-4-N,1-dimethyl-2H-pyridine-2,4-diamine
CID 126635010
(3E,5E)-5-fluoro-2-N-methylhepta-1,3,5-triene-2,3-diamine
CID 126734944
N-[(2Z,4E)-5-fluoro-2-methylhepta-2,4,6-trienyl]-N',N'-dimethylethane-1,2-diamine
CID 129136227
(2S)-1-[(2E,4E)-5-fluorohexa-2,4-dien-2-yl]-2-methylpiperazine
CID 129212975
N,1-dimethyl-6-(trifluoromethyl)-2H-pyridin-3-amine
CID 132064716
(2E,4Z,6Z)-2-N-ethenyl-4-fluoroocta-2,4,6-triene-2,5-diamine
CID 137466729
1-[(3Z)-5-fluorohexa-1,3,5-trien-2-yl]piperazine
CID 142067409
N'-[(3E)-3-fluorohexa-1,3,5-trien-2-yl]-N,N,N'-trimethylethane-1,2-diamine
CID 142099602
(3Z)-5-fluoro-N-propan-2-ylhexa-1,3,5-trien-2-amine
CID 142344412
N'-[(2Z,4Z)-3-fluoro-1-phosphanylhexa-2,4-dien-2-yl]-N,N'-dimethylethane-1,2-diamine
CID 142440482

Frequently Asked Questions

What is the IUPAC name of N'-[(2E,4Z)-6-fluorohepta-2,4,6-trien-3-yl]-N,N'-dimethylethane-1,2-diamine?
The IUPAC name of N'-[(2E,4Z)-6-fluorohepta-2,4,6-trien-3-yl]-N,N'-dimethylethane-1,2-diamine (CID 143191827) is N'-[(2E,4Z)-6-fluorohepta-2,4,6-trien-3-yl]-N,N'-dimethylethane-1,2-diamine.
What is the SMILES notation for N'-[(2E,4Z)-6-fluorohepta-2,4,6-trien-3-yl]-N,N'-dimethylethane-1,2-diamine?
The canonical SMILES for N'-[(2E,4Z)-6-fluorohepta-2,4,6-trien-3-yl]-N,N'-dimethylethane-1,2-diamine is C=C(F)/C=C\C(=C/C)N(C)CCNC.
What is the InChIKey of N'-[(2E,4Z)-6-fluorohepta-2,4,6-trien-3-yl]-N,N'-dimethylethane-1,2-diamine?
The InChIKey is QNOYCIRYPFKSPZ-TUKAJDRUSA-N. The full InChI is InChI=1S/C11H19FN2/c1-5-11(7-6-10(2)12)14(4)9-8-13-3/h5-7,13H,2,8-9H2,1,3-4H3/b7-6-,11-5+.
What are the key properties of N'-[(2E,4Z)-6-fluorohepta-2,4,6-trien-3-yl]-N,N'-dimethylethane-1,2-diamine?
N'-[(2E,4Z)-6-fluorohepta-2,4,6-trien-3-yl]-N,N'-dimethylethane-1,2-diamine has a molecular weight of 198.28 g/mol, XLogP of 2.08, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(2E,4Z)-6-fluorohepta-2,4,6-trien-3-yl]-N,N'-dimethylethane-1,2-diamine is sourced from PubChem (CID 143191827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).