2-N-(2-fluoroethyl)-2-N-hexa-3,5-dien-3-yl-6-N,6-N,3-trimethylhepta-1,3,5-triene-2,6-diamine

C18H29FN2 — CID 123501893

IUPAC2-N-(2-fluoroethyl)-2-N-hexa-3,5-dien-3-yl-6-N,6-N,3-trimethylhepta-1,3,5-triene-2,6-diamine
SMILESC=CC=C(CC)N(CCF)C(=C)C(C)=CC=C(C)N(C)C
InChIInChI=1S/C18H29FN2/c1-8-10-18(9-2)21(14-13-19)17(5)15(3)11-12-16(4)20(6)7/h8,10-12H,1,5,9,13-14H2,2-4,6-7H3
InChIKeyCWWTTYMAMTUTOV-UHFFFAOYSA-N
MW292.44 g/mol
LogP4.66
Rot. Bonds9

About 2-N-(2-fluoroethyl)-2-N-hexa-3,5-dien-3-yl-6-N,6-N,3-trimethylhepta-1,3,5-triene-2,6-diamine

2-N-(2-fluoroethyl)-2-N-hexa-3,5-dien-3-yl-6-N,6-N,3-trimethylhepta-1,3,5-triene-2,6-diamine (PubChem CID 123501893) has the molecular formula C18H29FN2 and a molecular weight of 292.44 g/mol. Its IUPAC name is 2-N-(2-fluoroethyl)-2-N-hexa-3,5-dien-3-yl-6-N,6-N,3-trimethylhepta-1,3,5-triene-2,6-diamine.

Molecular Properties

Compound Name2-N-(2-fluoroethyl)-2-N-hexa-3,5-dien-3-yl-6-N,6-N,3-trimethylhepta-1,3,5-triene-2,6-diamine
PubChem CID123501893
Molecular FormulaC18H29FN2
Molecular Weight292.44 g/mol
Exact Mass292.23
IUPAC Name2-N-(2-fluoroethyl)-2-N-hexa-3,5-dien-3-yl-6-N,6-N,3-trimethylhepta-1,3,5-triene-2,6-diamine
SMILESC=CC=C(CC)N(CCF)C(=C)C(C)=CC=C(C)N(C)C
InChIInChI=1S/C18H29FN2/c1-8-10-18(9-2)21(14-13-19)17(5)15(3)11-12-16(4)20(6)7/h8,10-12H,1,5,9,13-14H2,2-4,6-7H3
InChIKeyCWWTTYMAMTUTOV-UHFFFAOYSA-N
XLogP4.66
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.44
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-N-(2-fluoroethyl)-2-N-hexa-3,5-dien-3-yl-6-N,6-N,3-trimethylhepta-1,3,5-triene-2,6-diamine with MolForge

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Related Compounds

(3E)-2-N,2-N-dimethylhexa-1,3,5-triene-2,3-diamine
CID 130371607
(2Z,4Z)-N-[(2E)-penta-2,4-dien-2-yl]-N-prop-1-en-2-ylhepta-2,4,6-trien-1-amine
CID 142288862
N'-[(3E)-3-chlorohexa-1,3,5-trien-2-yl]-N,N'-dimethylethane-1,2-diamine
CID 142349508
(3Z)-3-ethenyl-N-methyl-N-prop-1-en-2-ylhexa-3,5-dien-1-amine
CID 143512259
(3E)-4-fluorohexa-1,3-diene
CID 88586520
N,N-dimethylprop-1-en-2-amine;propan-2-one;prop-1-ene
CID 162280666
(3Z)-3-ethylhexa-1,3,5-trien-2-amine
CID 143431961
ethane;(3Z)-3-ethenyl-N-methyl-N-prop-1-en-2-ylhexa-3,5-dien-1-amine
CID 143512258
(3Z,5Z)-7-fluoro-4-methylhepta-1,3,5-triene
CID 118002257
N'-[(2E,4E,6Z,8E,10Z)-7-ethyl-5-methyl-6-[(1E,3Z)-4-methylhexa-1,3,5-trienyl]trideca-2,4,6,8,10,12-hexaen-2-yl]-N,N'-dimethylethane-1,2-diamine
CID 167028364
ethane;(3Z)-2-fluoro-3-methylhexa-1,3,5-triene
CID 143773751
(3Z)-N,N-dimethyl-3-prop-1-en-2-ylhexa-3,5-dienimidamide
CID 142083540

Frequently Asked Questions

What is the IUPAC name of 2-N-(2-fluoroethyl)-2-N-hexa-3,5-dien-3-yl-6-N,6-N,3-trimethylhepta-1,3,5-triene-2,6-diamine?
The IUPAC name of 2-N-(2-fluoroethyl)-2-N-hexa-3,5-dien-3-yl-6-N,6-N,3-trimethylhepta-1,3,5-triene-2,6-diamine (CID 123501893) is 2-N-(2-fluoroethyl)-2-N-hexa-3,5-dien-3-yl-6-N,6-N,3-trimethylhepta-1,3,5-triene-2,6-diamine.
What is the SMILES notation for 2-N-(2-fluoroethyl)-2-N-hexa-3,5-dien-3-yl-6-N,6-N,3-trimethylhepta-1,3,5-triene-2,6-diamine?
The canonical SMILES for 2-N-(2-fluoroethyl)-2-N-hexa-3,5-dien-3-yl-6-N,6-N,3-trimethylhepta-1,3,5-triene-2,6-diamine is C=CC=C(CC)N(CCF)C(=C)C(C)=CC=C(C)N(C)C.
What is the InChIKey of 2-N-(2-fluoroethyl)-2-N-hexa-3,5-dien-3-yl-6-N,6-N,3-trimethylhepta-1,3,5-triene-2,6-diamine?
The InChIKey is CWWTTYMAMTUTOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29FN2/c1-8-10-18(9-2)21(14-13-19)17(5)15(3)11-12-16(4)20(6)7/h8,10-12H,1,5,9,13-14H2,2-4,6-7H3.
What are the key properties of 2-N-(2-fluoroethyl)-2-N-hexa-3,5-dien-3-yl-6-N,6-N,3-trimethylhepta-1,3,5-triene-2,6-diamine?
2-N-(2-fluoroethyl)-2-N-hexa-3,5-dien-3-yl-6-N,6-N,3-trimethylhepta-1,3,5-triene-2,6-diamine has a molecular weight of 292.44 g/mol, XLogP of 4.66, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2-fluoroethyl)-2-N-hexa-3,5-dien-3-yl-6-N,6-N,3-trimethylhepta-1,3,5-triene-2,6-diamine is sourced from PubChem (CID 123501893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).