(1Z,3E)-5-N-[(Z)-3-fluoropent-2-en-2-yl]-1-N,1-N,5-N,3,4-pentamethylhexa-1,3,5-triene-1,5-diamine

C16H27FN2 — CID 163702676

IUPAC(1Z,3E)-5-N-[(Z)-3-fluoropent-2-en-2-yl]-1-N,1-N,5-N,3,4-pentamethylhexa-1,3,5-triene-1,5-diamine
SMILESC=C(/C(C)=C(C)/C=C\N(C)C)N(C)/C(C)=C(\F)CC
InChIInChI=1S/C16H27FN2/c1-9-16(17)15(5)19(8)14(4)13(3)12(2)10-11-18(6)7/h10-11H,4,9H2,1-3,5-8H3/b11-10-,13-12+,16-15-
InChIKeyKCKGGTPUIBJRFK-JZLDRFSISA-N
MW266.40 g/mol
LogP4.45
Rot. Bonds6

About (1Z,3E)-5-N-[(Z)-3-fluoropent-2-en-2-yl]-1-N,1-N,5-N,3,4-pentamethylhexa-1,3,5-triene-1,5-diamine

(1Z,3E)-5-N-[(Z)-3-fluoropent-2-en-2-yl]-1-N,1-N,5-N,3,4-pentamethylhexa-1,3,5-triene-1,5-diamine (PubChem CID 163702676) has the molecular formula C16H27FN2 and a molecular weight of 266.40 g/mol. Its IUPAC name is (1Z,3E)-5-N-[(Z)-3-fluoropent-2-en-2-yl]-1-N,1-N,5-N,3,4-pentamethylhexa-1,3,5-triene-1,5-diamine.

Molecular Properties

Compound Name(1Z,3E)-5-N-[(Z)-3-fluoropent-2-en-2-yl]-1-N,1-N,5-N,3,4-pentamethylhexa-1,3,5-triene-1,5-diamine
PubChem CID163702676
Molecular FormulaC16H27FN2
Molecular Weight266.40 g/mol
Exact Mass266.22
IUPAC Name(1Z,3E)-5-N-[(Z)-3-fluoropent-2-en-2-yl]-1-N,1-N,5-N,3,4-pentamethylhexa-1,3,5-triene-1,5-diamine
SMILESC=C(/C(C)=C(C)/C=C\N(C)C)N(C)/C(C)=C(\F)CC
InChIInChI=1S/C16H27FN2/c1-9-16(17)15(5)19(8)14(4)13(3)12(2)10-11-18(6)7/h10-11H,4,9H2,1-3,5-8H3/b11-10-,13-12+,16-15-
InChIKeyKCKGGTPUIBJRFK-JZLDRFSISA-N
XLogP4.45
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.40
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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)-5-N-[(Z)-3-fluoropent-2-en-2-yl]-1-N,1-N,5-N,3,4-pentamethylhexa-1,3,5-triene-1,5-diamine?
The IUPAC name of (1Z,3E)-5-N-[(Z)-3-fluoropent-2-en-2-yl]-1-N,1-N,5-N,3,4-pentamethylhexa-1,3,5-triene-1,5-diamine (CID 163702676) is (1Z,3E)-5-N-[(Z)-3-fluoropent-2-en-2-yl]-1-N,1-N,5-N,3,4-pentamethylhexa-1,3,5-triene-1,5-diamine.
What is the SMILES notation for (1Z,3E)-5-N-[(Z)-3-fluoropent-2-en-2-yl]-1-N,1-N,5-N,3,4-pentamethylhexa-1,3,5-triene-1,5-diamine?
The canonical SMILES for (1Z,3E)-5-N-[(Z)-3-fluoropent-2-en-2-yl]-1-N,1-N,5-N,3,4-pentamethylhexa-1,3,5-triene-1,5-diamine is C=C(/C(C)=C(C)/C=C\N(C)C)N(C)/C(C)=C(\F)CC.
What is the InChIKey of (1Z,3E)-5-N-[(Z)-3-fluoropent-2-en-2-yl]-1-N,1-N,5-N,3,4-pentamethylhexa-1,3,5-triene-1,5-diamine?
The InChIKey is KCKGGTPUIBJRFK-JZLDRFSISA-N. The full InChI is InChI=1S/C16H27FN2/c1-9-16(17)15(5)19(8)14(4)13(3)12(2)10-11-18(6)7/h10-11H,4,9H2,1-3,5-8H3/b11-10-,13-12+,16-15-.
What are the key properties of (1Z,3E)-5-N-[(Z)-3-fluoropent-2-en-2-yl]-1-N,1-N,5-N,3,4-pentamethylhexa-1,3,5-triene-1,5-diamine?
(1Z,3E)-5-N-[(Z)-3-fluoropent-2-en-2-yl]-1-N,1-N,5-N,3,4-pentamethylhexa-1,3,5-triene-1,5-diamine has a molecular weight of 266.40 g/mol, XLogP of 4.45, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z,3E)-5-N-[(Z)-3-fluoropent-2-en-2-yl]-1-N,1-N,5-N,3,4-pentamethylhexa-1,3,5-triene-1,5-diamine is sourced from PubChem (CID 163702676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).