(Z,2Z)-2-(fluoromethylidene)-5-[5-(methylamino)pentyliminomethyl]-6-(methylideneamino)hex-5-en-1-amine

C15H27FN4 — CID 166991998

IUPAC(Z,2Z)-2-(fluoromethylidene)-5-[5-(methylamino)pentyliminomethyl]-6-(methylideneamino)hex-5-en-1-amine
SMILESC=N/C=C(\C=N\CCCCCNC)CC/C(=C/F)CN
InChIInChI=1S/C15H27FN4/c1-18-8-4-3-5-9-20-13-15(12-19-2)7-6-14(10-16)11-17/h10,12-13,18H,2-9,11,17H2,1H3/b14-10-,15-12-,20-13+
InChIKeyRVWQMLBTXCHBTH-TXJHPWMWSA-N
MW282.41 g/mol
LogP2.62
Rot. Bonds12

About (Z,2Z)-2-(fluoromethylidene)-5-[5-(methylamino)pentyliminomethyl]-6-(methylideneamino)hex-5-en-1-amine

(Z,2Z)-2-(fluoromethylidene)-5-[5-(methylamino)pentyliminomethyl]-6-(methylideneamino)hex-5-en-1-amine (PubChem CID 166991998) has the molecular formula C15H27FN4 and a molecular weight of 282.41 g/mol. Its IUPAC name is (Z,2Z)-2-(fluoromethylidene)-5-[5-(methylamino)pentyliminomethyl]-6-(methylideneamino)hex-5-en-1-amine.

Molecular Properties

Compound Name(Z,2Z)-2-(fluoromethylidene)-5-[5-(methylamino)pentyliminomethyl]-6-(methylideneamino)hex-5-en-1-amine
PubChem CID166991998
Molecular FormulaC15H27FN4
Molecular Weight282.41 g/mol
Exact Mass282.22
IUPAC Name(Z,2Z)-2-(fluoromethylidene)-5-[5-(methylamino)pentyliminomethyl]-6-(methylideneamino)hex-5-en-1-amine
SMILESC=N/C=C(\C=N\CCCCCNC)CC/C(=C/F)CN
InChIInChI=1S/C15H27FN4/c1-18-8-4-3-5-9-20-13-15(12-19-2)7-6-14(10-16)11-17/h10,12-13,18H,2-9,11,17H2,1H3/b14-10-,15-12-,20-13+
InChIKeyRVWQMLBTXCHBTH-TXJHPWMWSA-N
XLogP2.62
TPSA62.77 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.41
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z,2Z)-2-(fluoromethylidene)-5-[5-(methylamino)pentyliminomethyl]-6-(methylideneamino)hex-5-en-1-amine?
The IUPAC name of (Z,2Z)-2-(fluoromethylidene)-5-[5-(methylamino)pentyliminomethyl]-6-(methylideneamino)hex-5-en-1-amine (CID 166991998) is (Z,2Z)-2-(fluoromethylidene)-5-[5-(methylamino)pentyliminomethyl]-6-(methylideneamino)hex-5-en-1-amine.
What is the SMILES notation for (Z,2Z)-2-(fluoromethylidene)-5-[5-(methylamino)pentyliminomethyl]-6-(methylideneamino)hex-5-en-1-amine?
The canonical SMILES for (Z,2Z)-2-(fluoromethylidene)-5-[5-(methylamino)pentyliminomethyl]-6-(methylideneamino)hex-5-en-1-amine is C=N/C=C(\C=N\CCCCCNC)CC/C(=C/F)CN.
What is the InChIKey of (Z,2Z)-2-(fluoromethylidene)-5-[5-(methylamino)pentyliminomethyl]-6-(methylideneamino)hex-5-en-1-amine?
The InChIKey is RVWQMLBTXCHBTH-TXJHPWMWSA-N. The full InChI is InChI=1S/C15H27FN4/c1-18-8-4-3-5-9-20-13-15(12-19-2)7-6-14(10-16)11-17/h10,12-13,18H,2-9,11,17H2,1H3/b14-10-,15-12-,20-13+.
What are the key properties of (Z,2Z)-2-(fluoromethylidene)-5-[5-(methylamino)pentyliminomethyl]-6-(methylideneamino)hex-5-en-1-amine?
(Z,2Z)-2-(fluoromethylidene)-5-[5-(methylamino)pentyliminomethyl]-6-(methylideneamino)hex-5-en-1-amine has a molecular weight of 282.41 g/mol, XLogP of 2.62, 12 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,2Z)-2-(fluoromethylidene)-5-[5-(methylamino)pentyliminomethyl]-6-(methylideneamino)hex-5-en-1-amine is sourced from PubChem (CID 166991998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).