(E)-1-[(Z)-[(Z)-2-fluoro-3-methylpent-2-enylidene]amino]-2-methyl-N-pentan-2-yl-N-propylbut-1-en-1-amine

C19H35FN2 — CID 142120384

IUPAC(E)-1-[(Z)-[(Z)-2-fluoro-3-methylpent-2-enylidene]amino]-2-methyl-N-pentan-2-yl-N-propylbut-1-en-1-amine
SMILESCCCC(C)N(CCC)C(/N=C\C(F)=C(/C)CC)=C(/C)CC
InChIInChI=1S/C19H35FN2/c1-8-12-17(7)22(13-9-2)19(16(6)11-4)21-14-18(20)15(5)10-3/h14,17H,8-13H2,1-7H3/b18-15-,19-16-,21-14-
InChIKeyNTRKLZCPZLQPOG-ZDHHAQFHSA-N
MW310.50 g/mol
LogP6.25
Rot. Bonds10

About (E)-1-[(Z)-[(Z)-2-fluoro-3-methylpent-2-enylidene]amino]-2-methyl-N-pentan-2-yl-N-propylbut-1-en-1-amine

(E)-1-[(Z)-[(Z)-2-fluoro-3-methylpent-2-enylidene]amino]-2-methyl-N-pentan-2-yl-N-propylbut-1-en-1-amine (PubChem CID 142120384) has the molecular formula C19H35FN2 and a molecular weight of 310.50 g/mol. Its IUPAC name is (E)-1-[(Z)-[(Z)-2-fluoro-3-methylpent-2-enylidene]amino]-2-methyl-N-pentan-2-yl-N-propylbut-1-en-1-amine.

Molecular Properties

Compound Name(E)-1-[(Z)-[(Z)-2-fluoro-3-methylpent-2-enylidene]amino]-2-methyl-N-pentan-2-yl-N-propylbut-1-en-1-amine
PubChem CID142120384
Molecular FormulaC19H35FN2
Molecular Weight310.50 g/mol
Exact Mass310.28
IUPAC Name(E)-1-[(Z)-[(Z)-2-fluoro-3-methylpent-2-enylidene]amino]-2-methyl-N-pentan-2-yl-N-propylbut-1-en-1-amine
SMILESCCCC(C)N(CCC)C(/N=C\C(F)=C(/C)CC)=C(/C)CC
InChIInChI=1S/C19H35FN2/c1-8-12-17(7)22(13-9-2)19(16(6)11-4)21-14-18(20)15(5)10-3/h14,17H,8-13H2,1-7H3/b18-15-,19-16-,21-14-
InChIKeyNTRKLZCPZLQPOG-ZDHHAQFHSA-N
XLogP6.25
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.50
LogP ≤ 56.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-1-[(Z)-[(Z)-2-fluoro-3-methylpent-2-enylidene]amino]-2-methyl-N-pentan-2-yl-N-propylbut-1-en-1-amine?
The IUPAC name of (E)-1-[(Z)-[(Z)-2-fluoro-3-methylpent-2-enylidene]amino]-2-methyl-N-pentan-2-yl-N-propylbut-1-en-1-amine (CID 142120384) is (E)-1-[(Z)-[(Z)-2-fluoro-3-methylpent-2-enylidene]amino]-2-methyl-N-pentan-2-yl-N-propylbut-1-en-1-amine.
What is the SMILES notation for (E)-1-[(Z)-[(Z)-2-fluoro-3-methylpent-2-enylidene]amino]-2-methyl-N-pentan-2-yl-N-propylbut-1-en-1-amine?
The canonical SMILES for (E)-1-[(Z)-[(Z)-2-fluoro-3-methylpent-2-enylidene]amino]-2-methyl-N-pentan-2-yl-N-propylbut-1-en-1-amine is CCCC(C)N(CCC)C(/N=C\C(F)=C(/C)CC)=C(/C)CC.
What is the InChIKey of (E)-1-[(Z)-[(Z)-2-fluoro-3-methylpent-2-enylidene]amino]-2-methyl-N-pentan-2-yl-N-propylbut-1-en-1-amine?
The InChIKey is NTRKLZCPZLQPOG-ZDHHAQFHSA-N. The full InChI is InChI=1S/C19H35FN2/c1-8-12-17(7)22(13-9-2)19(16(6)11-4)21-14-18(20)15(5)10-3/h14,17H,8-13H2,1-7H3/b18-15-,19-16-,21-14-.
What are the key properties of (E)-1-[(Z)-[(Z)-2-fluoro-3-methylpent-2-enylidene]amino]-2-methyl-N-pentan-2-yl-N-propylbut-1-en-1-amine?
(E)-1-[(Z)-[(Z)-2-fluoro-3-methylpent-2-enylidene]amino]-2-methyl-N-pentan-2-yl-N-propylbut-1-en-1-amine has a molecular weight of 310.50 g/mol, XLogP of 6.25, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-[(Z)-[(Z)-2-fluoro-3-methylpent-2-enylidene]amino]-2-methyl-N-pentan-2-yl-N-propylbut-1-en-1-amine is sourced from PubChem (CID 142120384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).