(2E,5Z)-7-fluoro-N,N,3-trimethyl-4-methylideneocta-2,5,7-trien-1-amine

C12H18FN — CID 143782117

IUPAC(2E,5Z)-7-fluoro-N,N,3-trimethyl-4-methylideneocta-2,5,7-trien-1-amine
SMILESC=C(F)/C=C\C(=C)/C(C)=C/CN(C)C
InChIInChI=1S/C12H18FN/c1-10(6-7-12(3)13)11(2)8-9-14(4)5/h6-8H,1,3,9H2,2,4-5H3/b7-6-,11-8+
InChIKeyKNBAYABBMVCWJY-BQGCWICQSA-N
MW195.28 g/mol
LogP3.09
Rot. Bonds5

About (2E,5Z)-7-fluoro-N,N,3-trimethyl-4-methylideneocta-2,5,7-trien-1-amine

(2E,5Z)-7-fluoro-N,N,3-trimethyl-4-methylideneocta-2,5,7-trien-1-amine (PubChem CID 143782117) has the molecular formula C12H18FN and a molecular weight of 195.28 g/mol. Its IUPAC name is (2E,5Z)-7-fluoro-N,N,3-trimethyl-4-methylideneocta-2,5,7-trien-1-amine.

Molecular Properties

Compound Name(2E,5Z)-7-fluoro-N,N,3-trimethyl-4-methylideneocta-2,5,7-trien-1-amine
PubChem CID143782117
Molecular FormulaC12H18FN
Molecular Weight195.28 g/mol
Exact Mass195.14
IUPAC Name(2E,5Z)-7-fluoro-N,N,3-trimethyl-4-methylideneocta-2,5,7-trien-1-amine
SMILESC=C(F)/C=C\C(=C)/C(C)=C/CN(C)C
InChIInChI=1S/C12H18FN/c1-10(6-7-12(3)13)11(2)8-9-14(4)5/h6-8H,1,3,9H2,2,4-5H3/b7-6-,11-8+
InChIKeyKNBAYABBMVCWJY-BQGCWICQSA-N
XLogP3.09
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.28
LogP ≤ 53.09
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,5Z)-7-fluoro-N,N,3-trimethyl-4-methylideneocta-2,5,7-trien-1-amine?
The IUPAC name of (2E,5Z)-7-fluoro-N,N,3-trimethyl-4-methylideneocta-2,5,7-trien-1-amine (CID 143782117) is (2E,5Z)-7-fluoro-N,N,3-trimethyl-4-methylideneocta-2,5,7-trien-1-amine.
What is the SMILES notation for (2E,5Z)-7-fluoro-N,N,3-trimethyl-4-methylideneocta-2,5,7-trien-1-amine?
The canonical SMILES for (2E,5Z)-7-fluoro-N,N,3-trimethyl-4-methylideneocta-2,5,7-trien-1-amine is C=C(F)/C=C\C(=C)/C(C)=C/CN(C)C.
What is the InChIKey of (2E,5Z)-7-fluoro-N,N,3-trimethyl-4-methylideneocta-2,5,7-trien-1-amine?
The InChIKey is KNBAYABBMVCWJY-BQGCWICQSA-N. The full InChI is InChI=1S/C12H18FN/c1-10(6-7-12(3)13)11(2)8-9-14(4)5/h6-8H,1,3,9H2,2,4-5H3/b7-6-,11-8+.
What are the key properties of (2E,5Z)-7-fluoro-N,N,3-trimethyl-4-methylideneocta-2,5,7-trien-1-amine?
(2E,5Z)-7-fluoro-N,N,3-trimethyl-4-methylideneocta-2,5,7-trien-1-amine has a molecular weight of 195.28 g/mol, XLogP of 3.09, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,5Z)-7-fluoro-N,N,3-trimethyl-4-methylideneocta-2,5,7-trien-1-amine is sourced from PubChem (CID 143782117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).