(1Z,3E,4Z)-3-(aminomethylidene)-2-[(Z)-but-1-enyl]-4-(2-fluoro-3-methylbut-2-enylidene)-1-N,5-N,5-N-trimethylhexa-1,5-diene-1,5-diamine

C19H30FN3 — CID 146345901

IUPAC(1Z,3E,4Z)-3-(aminomethylidene)-2-[(Z)-but-1-enyl]-4-(2-fluoro-3-methylbut-2-enylidene)-1-N,5-N,5-N-trimethylhexa-1,5-diene-1,5-diamine
SMILESC=C(/C(=C\C(F)=C(C)C)C(=CN)C(/C=C\CC)=C\NC)N(C)C
InChIInChI=1S/C19H30FN3/c1-8-9-10-16(13-22-5)18(12-21)17(15(4)23(6)7)11-19(20)14(2)3/h9-13,22H,4,8,21H2,1-3,5-7H3/b10-9-,16-13-,17-11+,18-12+
InChIKeyWOMUXVAXHMNYJH-JYISUHQMSA-N
MW319.47 g/mol
LogP4.16
Rot. Bonds8

About (1Z,3E,4Z)-3-(aminomethylidene)-2-[(Z)-but-1-enyl]-4-(2-fluoro-3-methylbut-2-enylidene)-1-N,5-N,5-N-trimethylhexa-1,5-diene-1,5-diamine

(1Z,3E,4Z)-3-(aminomethylidene)-2-[(Z)-but-1-enyl]-4-(2-fluoro-3-methylbut-2-enylidene)-1-N,5-N,5-N-trimethylhexa-1,5-diene-1,5-diamine (PubChem CID 146345901) has the molecular formula C19H30FN3 and a molecular weight of 319.47 g/mol. Its IUPAC name is (1Z,3E,4Z)-3-(aminomethylidene)-2-[(Z)-but-1-enyl]-4-(2-fluoro-3-methylbut-2-enylidene)-1-N,5-N,5-N-trimethylhexa-1,5-diene-1,5-diamine.

Molecular Properties

Compound Name(1Z,3E,4Z)-3-(aminomethylidene)-2-[(Z)-but-1-enyl]-4-(2-fluoro-3-methylbut-2-enylidene)-1-N,5-N,5-N-trimethylhexa-1,5-diene-1,5-diamine
PubChem CID146345901
Molecular FormulaC19H30FN3
Molecular Weight319.47 g/mol
Exact Mass319.24
IUPAC Name(1Z,3E,4Z)-3-(aminomethylidene)-2-[(Z)-but-1-enyl]-4-(2-fluoro-3-methylbut-2-enylidene)-1-N,5-N,5-N-trimethylhexa-1,5-diene-1,5-diamine
SMILESC=C(/C(=C\C(F)=C(C)C)C(=CN)C(/C=C\CC)=C\NC)N(C)C
InChIInChI=1S/C19H30FN3/c1-8-9-10-16(13-22-5)18(12-21)17(15(4)23(6)7)11-19(20)14(2)3/h9-13,22H,4,8,21H2,1-3,5-7H3/b10-9-,16-13-,17-11+,18-12+
InChIKeyWOMUXVAXHMNYJH-JYISUHQMSA-N
XLogP4.16
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.47
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1Z,3E,4Z)-3-(aminomethylidene)-2-[(Z)-but-1-enyl]-4-(2-fluoro-3-methylbut-2-enylidene)-1-N,5-N,5-N-trimethylhexa-1,5-diene-1,5-diamine?
The IUPAC name of (1Z,3E,4Z)-3-(aminomethylidene)-2-[(Z)-but-1-enyl]-4-(2-fluoro-3-methylbut-2-enylidene)-1-N,5-N,5-N-trimethylhexa-1,5-diene-1,5-diamine (CID 146345901) is (1Z,3E,4Z)-3-(aminomethylidene)-2-[(Z)-but-1-enyl]-4-(2-fluoro-3-methylbut-2-enylidene)-1-N,5-N,5-N-trimethylhexa-1,5-diene-1,5-diamine.
What is the SMILES notation for (1Z,3E,4Z)-3-(aminomethylidene)-2-[(Z)-but-1-enyl]-4-(2-fluoro-3-methylbut-2-enylidene)-1-N,5-N,5-N-trimethylhexa-1,5-diene-1,5-diamine?
The canonical SMILES for (1Z,3E,4Z)-3-(aminomethylidene)-2-[(Z)-but-1-enyl]-4-(2-fluoro-3-methylbut-2-enylidene)-1-N,5-N,5-N-trimethylhexa-1,5-diene-1,5-diamine is C=C(/C(=C\C(F)=C(C)C)C(=CN)C(/C=C\CC)=C\NC)N(C)C.
What is the InChIKey of (1Z,3E,4Z)-3-(aminomethylidene)-2-[(Z)-but-1-enyl]-4-(2-fluoro-3-methylbut-2-enylidene)-1-N,5-N,5-N-trimethylhexa-1,5-diene-1,5-diamine?
The InChIKey is WOMUXVAXHMNYJH-JYISUHQMSA-N. The full InChI is InChI=1S/C19H30FN3/c1-8-9-10-16(13-22-5)18(12-21)17(15(4)23(6)7)11-19(20)14(2)3/h9-13,22H,4,8,21H2,1-3,5-7H3/b10-9-,16-13-,17-11+,18-12+.
What are the key properties of (1Z,3E,4Z)-3-(aminomethylidene)-2-[(Z)-but-1-enyl]-4-(2-fluoro-3-methylbut-2-enylidene)-1-N,5-N,5-N-trimethylhexa-1,5-diene-1,5-diamine?
(1Z,3E,4Z)-3-(aminomethylidene)-2-[(Z)-but-1-enyl]-4-(2-fluoro-3-methylbut-2-enylidene)-1-N,5-N,5-N-trimethylhexa-1,5-diene-1,5-diamine has a molecular weight of 319.47 g/mol, XLogP of 4.16, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z,3E,4Z)-3-(aminomethylidene)-2-[(Z)-but-1-enyl]-4-(2-fluoro-3-methylbut-2-enylidene)-1-N,5-N,5-N-trimethylhexa-1,5-diene-1,5-diamine is sourced from PubChem (CID 146345901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).