(1Z,3Z)-4-N-ethyl-3-ethylidene-4-N-[(4-fluorophenyl)methyl]-2-methyl-1-N'-(1-methylcyclopropyl)penta-1,4-diene-1,1,4-triamine

C21H30FN3 — CID 138666843

IUPAC(1Z,3Z)-4-N-ethyl-3-ethylidene-4-N-[(4-fluorophenyl)methyl]-2-methyl-1-N'-(1-methylcyclopropyl)penta-1,4-diene-1,1,4-triamine
SMILESC=C(C(=C\C)/C(C)=C(/N)NC1(C)CC1)N(CC)Cc1ccc(F)cc1
InChIInChI=1S/C21H30FN3/c1-6-19(15(3)20(23)24-21(5)12-13-21)16(4)25(7-2)14-17-8-10-18(22)11-9-17/h6,8-11,24H,4,7,12-14,23H2,1-3,5H3/b19-6-,20-15-
InChIKeyXDLQBRFXEUYFSY-KOZWRKTPSA-N
MW343.49 g/mol
LogP4.44
Rot. Bonds8

About (1Z,3Z)-4-N-ethyl-3-ethylidene-4-N-[(4-fluorophenyl)methyl]-2-methyl-1-N'-(1-methylcyclopropyl)penta-1,4-diene-1,1,4-triamine

(1Z,3Z)-4-N-ethyl-3-ethylidene-4-N-[(4-fluorophenyl)methyl]-2-methyl-1-N'-(1-methylcyclopropyl)penta-1,4-diene-1,1,4-triamine (PubChem CID 138666843) has the molecular formula C21H30FN3 and a molecular weight of 343.49 g/mol. Its IUPAC name is (1Z,3Z)-4-N-ethyl-3-ethylidene-4-N-[(4-fluorophenyl)methyl]-2-methyl-1-N'-(1-methylcyclopropyl)penta-1,4-diene-1,1,4-triamine.

Molecular Properties

Compound Name(1Z,3Z)-4-N-ethyl-3-ethylidene-4-N-[(4-fluorophenyl)methyl]-2-methyl-1-N'-(1-methylcyclopropyl)penta-1,4-diene-1,1,4-triamine
PubChem CID138666843
Molecular FormulaC21H30FN3
Molecular Weight343.49 g/mol
Exact Mass343.24
IUPAC Name(1Z,3Z)-4-N-ethyl-3-ethylidene-4-N-[(4-fluorophenyl)methyl]-2-methyl-1-N'-(1-methylcyclopropyl)penta-1,4-diene-1,1,4-triamine
SMILESC=C(C(=C\C)/C(C)=C(/N)NC1(C)CC1)N(CC)Cc1ccc(F)cc1
InChIInChI=1S/C21H30FN3/c1-6-19(15(3)20(23)24-21(5)12-13-21)16(4)25(7-2)14-17-8-10-18(22)11-9-17/h6,8-11,24H,4,7,12-14,23H2,1-3,5H3/b19-6-,20-15-
InChIKeyXDLQBRFXEUYFSY-KOZWRKTPSA-N
XLogP4.44
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.49
LogP ≤ 54.44
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,3Z)-4-N-ethyl-3-ethylidene-4-N-[(4-fluorophenyl)methyl]-2-methyl-1-N'-(1-methylcyclopropyl)penta-1,4-diene-1,1,4-triamine?
The IUPAC name of (1Z,3Z)-4-N-ethyl-3-ethylidene-4-N-[(4-fluorophenyl)methyl]-2-methyl-1-N'-(1-methylcyclopropyl)penta-1,4-diene-1,1,4-triamine (CID 138666843) is (1Z,3Z)-4-N-ethyl-3-ethylidene-4-N-[(4-fluorophenyl)methyl]-2-methyl-1-N'-(1-methylcyclopropyl)penta-1,4-diene-1,1,4-triamine.
What is the SMILES notation for (1Z,3Z)-4-N-ethyl-3-ethylidene-4-N-[(4-fluorophenyl)methyl]-2-methyl-1-N'-(1-methylcyclopropyl)penta-1,4-diene-1,1,4-triamine?
The canonical SMILES for (1Z,3Z)-4-N-ethyl-3-ethylidene-4-N-[(4-fluorophenyl)methyl]-2-methyl-1-N'-(1-methylcyclopropyl)penta-1,4-diene-1,1,4-triamine is C=C(C(=C\C)/C(C)=C(/N)NC1(C)CC1)N(CC)Cc1ccc(F)cc1.
What is the InChIKey of (1Z,3Z)-4-N-ethyl-3-ethylidene-4-N-[(4-fluorophenyl)methyl]-2-methyl-1-N'-(1-methylcyclopropyl)penta-1,4-diene-1,1,4-triamine?
The InChIKey is XDLQBRFXEUYFSY-KOZWRKTPSA-N. The full InChI is InChI=1S/C21H30FN3/c1-6-19(15(3)20(23)24-21(5)12-13-21)16(4)25(7-2)14-17-8-10-18(22)11-9-17/h6,8-11,24H,4,7,12-14,23H2,1-3,5H3/b19-6-,20-15-.
What are the key properties of (1Z,3Z)-4-N-ethyl-3-ethylidene-4-N-[(4-fluorophenyl)methyl]-2-methyl-1-N'-(1-methylcyclopropyl)penta-1,4-diene-1,1,4-triamine?
(1Z,3Z)-4-N-ethyl-3-ethylidene-4-N-[(4-fluorophenyl)methyl]-2-methyl-1-N'-(1-methylcyclopropyl)penta-1,4-diene-1,1,4-triamine has a molecular weight of 343.49 g/mol, XLogP of 4.44, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z,3Z)-4-N-ethyl-3-ethylidene-4-N-[(4-fluorophenyl)methyl]-2-methyl-1-N'-(1-methylcyclopropyl)penta-1,4-diene-1,1,4-triamine is sourced from PubChem (CID 138666843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).