(2E)-2-(2-fluoroethylidene)-4-methyl-N-[(2Z)-4-methylpenta-2,4-dien-2-yl]pent-3-en-1-amine

C14H22FN — CID 134291684

IUPAC(2E)-2-(2-fluoroethylidene)-4-methyl-N-[(2Z)-4-methylpenta-2,4-dien-2-yl]pent-3-en-1-amine
SMILESC=C(C)/C=C(/C)NC/C(C=C(C)C)=C/CF
InChIInChI=1S/C14H22FN/c1-11(2)8-13(5)16-10-14(6-7-15)9-12(3)4/h6,8-9,16H,1,7,10H2,2-5H3/b13-8-,14-6+
InChIKeySDZDUOYCEYGDFC-QDDJFMGRSA-N
MW223.33 g/mol
LogP3.92
Rot. Bonds6

About (2E)-2-(2-fluoroethylidene)-4-methyl-N-[(2Z)-4-methylpenta-2,4-dien-2-yl]pent-3-en-1-amine

(2E)-2-(2-fluoroethylidene)-4-methyl-N-[(2Z)-4-methylpenta-2,4-dien-2-yl]pent-3-en-1-amine (PubChem CID 134291684) has the molecular formula C14H22FN and a molecular weight of 223.33 g/mol. Its IUPAC name is (2E)-2-(2-fluoroethylidene)-4-methyl-N-[(2Z)-4-methylpenta-2,4-dien-2-yl]pent-3-en-1-amine.

Molecular Properties

Compound Name(2E)-2-(2-fluoroethylidene)-4-methyl-N-[(2Z)-4-methylpenta-2,4-dien-2-yl]pent-3-en-1-amine
PubChem CID134291684
Molecular FormulaC14H22FN
Molecular Weight223.33 g/mol
Exact Mass223.17
IUPAC Name(2E)-2-(2-fluoroethylidene)-4-methyl-N-[(2Z)-4-methylpenta-2,4-dien-2-yl]pent-3-en-1-amine
SMILESC=C(C)/C=C(/C)NC/C(C=C(C)C)=C/CF
InChIInChI=1S/C14H22FN/c1-11(2)8-13(5)16-10-14(6-7-15)9-12(3)4/h6,8-9,16H,1,7,10H2,2-5H3/b13-8-,14-6+
InChIKeySDZDUOYCEYGDFC-QDDJFMGRSA-N
XLogP3.92
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.33
LogP ≤ 53.92
H-Bond Donors ≤ 51
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)-2-(2-fluoroethylidene)-4-methyl-N-[(2Z)-4-methylpenta-2,4-dien-2-yl]pent-3-en-1-amine?
The IUPAC name of (2E)-2-(2-fluoroethylidene)-4-methyl-N-[(2Z)-4-methylpenta-2,4-dien-2-yl]pent-3-en-1-amine (CID 134291684) is (2E)-2-(2-fluoroethylidene)-4-methyl-N-[(2Z)-4-methylpenta-2,4-dien-2-yl]pent-3-en-1-amine.
What is the SMILES notation for (2E)-2-(2-fluoroethylidene)-4-methyl-N-[(2Z)-4-methylpenta-2,4-dien-2-yl]pent-3-en-1-amine?
The canonical SMILES for (2E)-2-(2-fluoroethylidene)-4-methyl-N-[(2Z)-4-methylpenta-2,4-dien-2-yl]pent-3-en-1-amine is C=C(C)/C=C(/C)NC/C(C=C(C)C)=C/CF.
What is the InChIKey of (2E)-2-(2-fluoroethylidene)-4-methyl-N-[(2Z)-4-methylpenta-2,4-dien-2-yl]pent-3-en-1-amine?
The InChIKey is SDZDUOYCEYGDFC-QDDJFMGRSA-N. The full InChI is InChI=1S/C14H22FN/c1-11(2)8-13(5)16-10-14(6-7-15)9-12(3)4/h6,8-9,16H,1,7,10H2,2-5H3/b13-8-,14-6+.
What are the key properties of (2E)-2-(2-fluoroethylidene)-4-methyl-N-[(2Z)-4-methylpenta-2,4-dien-2-yl]pent-3-en-1-amine?
(2E)-2-(2-fluoroethylidene)-4-methyl-N-[(2Z)-4-methylpenta-2,4-dien-2-yl]pent-3-en-1-amine has a molecular weight of 223.33 g/mol, XLogP of 3.92, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-(2-fluoroethylidene)-4-methyl-N-[(2Z)-4-methylpenta-2,4-dien-2-yl]pent-3-en-1-amine is sourced from PubChem (CID 134291684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).