N-(7-fluorodeca-1,4,6,8-tetraen-2-yldiazenyl)-N-methylmethanamine

C12H18FN3 — CID 123513103

IUPACN-(7-fluorodeca-1,4,6,8-tetraen-2-yldiazenyl)-N-methylmethanamine
SMILESC=C(CC=CC=C(F)C=CC)/N=N/N(C)C
InChIInChI=1S/C12H18FN3/c1-5-8-12(13)10-7-6-9-11(2)14-15-16(3)4/h5-8,10H,2,9H2,1,3-4H3/b7-6?,8-5?,12-10?,15-14+
InChIKeyIBTVKXISFDVFNR-ZFOREXAVSA-N
MW223.29 g/mol
LogP3.80
Rot. Bonds6

About N-(7-fluorodeca-1,4,6,8-tetraen-2-yldiazenyl)-N-methylmethanamine

N-(7-fluorodeca-1,4,6,8-tetraen-2-yldiazenyl)-N-methylmethanamine (PubChem CID 123513103) has the molecular formula C12H18FN3 and a molecular weight of 223.29 g/mol. Its IUPAC name is N-(7-fluorodeca-1,4,6,8-tetraen-2-yldiazenyl)-N-methylmethanamine.

Molecular Properties

Compound NameN-(7-fluorodeca-1,4,6,8-tetraen-2-yldiazenyl)-N-methylmethanamine
PubChem CID123513103
Molecular FormulaC12H18FN3
Molecular Weight223.29 g/mol
Exact Mass223.15
IUPAC NameN-(7-fluorodeca-1,4,6,8-tetraen-2-yldiazenyl)-N-methylmethanamine
SMILESC=C(CC=CC=C(F)C=CC)/N=N/N(C)C
InChIInChI=1S/C12H18FN3/c1-5-8-12(13)10-7-6-9-11(2)14-15-16(3)4/h5-8,10H,2,9H2,1,3-4H3/b7-6?,8-5?,12-10?,15-14+
InChIKeyIBTVKXISFDVFNR-ZFOREXAVSA-N
XLogP3.80
TPSA27.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.29
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

[(2E,4E)-4-(fluoromethyl)hepta-2,4,6-trien-3-yl]-methyldiazene
CID 118543999
1-[(6Z)-8-fluoronona-1,4,6-trien-5-yl]-1,2-dimethyl-2-propylhydrazine
CID 156315006
1-[(3Z)-4-fluorohexa-3,5-dien-3-yl]-1,2,2-trimethylhydrazine
CID 170144467
N-[[(2Z,4E)-hepta-2,4-dien-4-yl]diazenyl]-N-methylmethanamine
CID 88991335
(2E,4Z)-N,N-dimethylhepta-2,4-dien-2-amine
CID 118650866
N,N-dimethylhepta-2,4-dien-2-amine
CID 123669915
1-[(3E)-hexa-3,5-dien-3-yl]-1,2,2-trimethylhydrazine
CID 134257846
N,N-dimethylmethanamine;(2E,4Z,6Z)-N,N-dimethylnona-2,4,6-trien-3-amine
CID 143754890
1-[(3Z)-hexa-1,3-dien-2-yl]-1,2,2-trimethylhydrazine
CID 146561432
[(2E,4Z)-hepta-2,4-dien-3-yl]-[(2Z,4E)-hepta-2,4-dien-4-yl]diazene
CID 155699452
(2E,4Z)-N,N-dimethylhepta-2,4-dien-2-amine;N,N-dimethylmethanamine
CID 155721820
1-ethyl-2-[(3E)-hexa-3,5-dien-3-yl]-1,2-dimethylhydrazine
CID 167039312

Frequently Asked Questions

What is the IUPAC name of N-(7-fluorodeca-1,4,6,8-tetraen-2-yldiazenyl)-N-methylmethanamine?
The IUPAC name of N-(7-fluorodeca-1,4,6,8-tetraen-2-yldiazenyl)-N-methylmethanamine (CID 123513103) is N-(7-fluorodeca-1,4,6,8-tetraen-2-yldiazenyl)-N-methylmethanamine.
What is the SMILES notation for N-(7-fluorodeca-1,4,6,8-tetraen-2-yldiazenyl)-N-methylmethanamine?
The canonical SMILES for N-(7-fluorodeca-1,4,6,8-tetraen-2-yldiazenyl)-N-methylmethanamine is C=C(CC=CC=C(F)C=CC)/N=N/N(C)C.
What is the InChIKey of N-(7-fluorodeca-1,4,6,8-tetraen-2-yldiazenyl)-N-methylmethanamine?
The InChIKey is IBTVKXISFDVFNR-ZFOREXAVSA-N. The full InChI is InChI=1S/C12H18FN3/c1-5-8-12(13)10-7-6-9-11(2)14-15-16(3)4/h5-8,10H,2,9H2,1,3-4H3/b7-6?,8-5?,12-10?,15-14+.
What are the key properties of N-(7-fluorodeca-1,4,6,8-tetraen-2-yldiazenyl)-N-methylmethanamine?
N-(7-fluorodeca-1,4,6,8-tetraen-2-yldiazenyl)-N-methylmethanamine has a molecular weight of 223.29 g/mol, XLogP of 3.80, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-fluorodeca-1,4,6,8-tetraen-2-yldiazenyl)-N-methylmethanamine is sourced from PubChem (CID 123513103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).