(2E,5E)-6-fluoro-N,N,7-trimethyl-3,4-dimethylidene-2-prop-2-enylideneocta-5,7-dien-1-amine

C16H22FN — CID 143030255

IUPAC(2E,5E)-6-fluoro-N,N,7-trimethyl-3,4-dimethylidene-2-prop-2-enylideneocta-5,7-dien-1-amine
SMILESC=C/C=C(/CN(C)C)C(=C)C(=C)/C=C(/F)C(=C)C
InChIInChI=1S/C16H22FN/c1-8-9-15(11-18(6)7)14(5)13(4)10-16(17)12(2)3/h8-10H,1-2,4-5,11H2,3,6-7H3/b15-9-,16-10+
InChIKeyTYTTYKJKLYKXKQ-CKOAPEAFSA-N
MW247.36 g/mol
LogP4.20
Rot. Bonds7

About (2E,5E)-6-fluoro-N,N,7-trimethyl-3,4-dimethylidene-2-prop-2-enylideneocta-5,7-dien-1-amine

(2E,5E)-6-fluoro-N,N,7-trimethyl-3,4-dimethylidene-2-prop-2-enylideneocta-5,7-dien-1-amine (PubChem CID 143030255) has the molecular formula C16H22FN and a molecular weight of 247.36 g/mol. Its IUPAC name is (2E,5E)-6-fluoro-N,N,7-trimethyl-3,4-dimethylidene-2-prop-2-enylideneocta-5,7-dien-1-amine.

Molecular Properties

Compound Name(2E,5E)-6-fluoro-N,N,7-trimethyl-3,4-dimethylidene-2-prop-2-enylideneocta-5,7-dien-1-amine
PubChem CID143030255
Molecular FormulaC16H22FN
Molecular Weight247.36 g/mol
Exact Mass247.17
IUPAC Name(2E,5E)-6-fluoro-N,N,7-trimethyl-3,4-dimethylidene-2-prop-2-enylideneocta-5,7-dien-1-amine
SMILESC=C/C=C(/CN(C)C)C(=C)C(=C)/C=C(/F)C(=C)C
InChIInChI=1S/C16H22FN/c1-8-9-15(11-18(6)7)14(5)13(4)10-16(17)12(2)3/h8-10H,1-2,4-5,11H2,3,6-7H3/b15-9-,16-10+
InChIKeyTYTTYKJKLYKXKQ-CKOAPEAFSA-N
XLogP4.20
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.36
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2E,5E)-6-fluoro-N,N,7-trimethyl-3,4-dimethylidene-2-prop-2-enylideneocta-5,7-dien-1-amine?
The IUPAC name of (2E,5E)-6-fluoro-N,N,7-trimethyl-3,4-dimethylidene-2-prop-2-enylideneocta-5,7-dien-1-amine (CID 143030255) is (2E,5E)-6-fluoro-N,N,7-trimethyl-3,4-dimethylidene-2-prop-2-enylideneocta-5,7-dien-1-amine.
What is the SMILES notation for (2E,5E)-6-fluoro-N,N,7-trimethyl-3,4-dimethylidene-2-prop-2-enylideneocta-5,7-dien-1-amine?
The canonical SMILES for (2E,5E)-6-fluoro-N,N,7-trimethyl-3,4-dimethylidene-2-prop-2-enylideneocta-5,7-dien-1-amine is C=C/C=C(/CN(C)C)C(=C)C(=C)/C=C(/F)C(=C)C.
What is the InChIKey of (2E,5E)-6-fluoro-N,N,7-trimethyl-3,4-dimethylidene-2-prop-2-enylideneocta-5,7-dien-1-amine?
The InChIKey is TYTTYKJKLYKXKQ-CKOAPEAFSA-N. The full InChI is InChI=1S/C16H22FN/c1-8-9-15(11-18(6)7)14(5)13(4)10-16(17)12(2)3/h8-10H,1-2,4-5,11H2,3,6-7H3/b15-9-,16-10+.
What are the key properties of (2E,5E)-6-fluoro-N,N,7-trimethyl-3,4-dimethylidene-2-prop-2-enylideneocta-5,7-dien-1-amine?
(2E,5E)-6-fluoro-N,N,7-trimethyl-3,4-dimethylidene-2-prop-2-enylideneocta-5,7-dien-1-amine has a molecular weight of 247.36 g/mol, XLogP of 4.20, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,5E)-6-fluoro-N,N,7-trimethyl-3,4-dimethylidene-2-prop-2-enylideneocta-5,7-dien-1-amine is sourced from PubChem (CID 143030255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).