(Z)-N-[2-[2-(aminomethyl)prop-2-enylideneamino]ethyl]-1,1,1-trifluoro-N-methylpent-2-en-2-amine

C12H20F3N3 — CID 162562865

IUPAC(Z)-N-[2-[2-(aminomethyl)prop-2-enylideneamino]ethyl]-1,1,1-trifluoro-N-methylpent-2-en-2-amine
SMILESC=C(/C=N/CCN(C)/C(=C\CC)C(F)(F)F)CN
InChIInChI=1S/C12H20F3N3/c1-4-5-11(12(13,14)15)18(3)7-6-17-9-10(2)8-16/h5,9H,2,4,6-8,16H2,1,3H3/b11-5-,17-9+
InChIKeyPQQJGQZLONCBRP-IQTAKFGXSA-N
MW263.31 g/mol
LogP2.36
Rot. Bonds7

About (Z)-N-[2-[2-(aminomethyl)prop-2-enylideneamino]ethyl]-1,1,1-trifluoro-N-methylpent-2-en-2-amine

(Z)-N-[2-[2-(aminomethyl)prop-2-enylideneamino]ethyl]-1,1,1-trifluoro-N-methylpent-2-en-2-amine (PubChem CID 162562865) has the molecular formula C12H20F3N3 and a molecular weight of 263.31 g/mol. Its IUPAC name is (Z)-N-[2-[2-(aminomethyl)prop-2-enylideneamino]ethyl]-1,1,1-trifluoro-N-methylpent-2-en-2-amine.

Molecular Properties

Compound Name(Z)-N-[2-[2-(aminomethyl)prop-2-enylideneamino]ethyl]-1,1,1-trifluoro-N-methylpent-2-en-2-amine
PubChem CID162562865
Molecular FormulaC12H20F3N3
Molecular Weight263.31 g/mol
Exact Mass263.16
IUPAC Name(Z)-N-[2-[2-(aminomethyl)prop-2-enylideneamino]ethyl]-1,1,1-trifluoro-N-methylpent-2-en-2-amine
SMILESC=C(/C=N/CCN(C)/C(=C\CC)C(F)(F)F)CN
InChIInChI=1S/C12H20F3N3/c1-4-5-11(12(13,14)15)18(3)7-6-17-9-10(2)8-16/h5,9H,2,4,6-8,16H2,1,3H3/b11-5-,17-9+
InChIKeyPQQJGQZLONCBRP-IQTAKFGXSA-N
XLogP2.36
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.31
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 (Z)-N-[2-[2-(aminomethyl)prop-2-enylideneamino]ethyl]-1,1,1-trifluoro-N-methylpent-2-en-2-amine?
The IUPAC name of (Z)-N-[2-[2-(aminomethyl)prop-2-enylideneamino]ethyl]-1,1,1-trifluoro-N-methylpent-2-en-2-amine (CID 162562865) is (Z)-N-[2-[2-(aminomethyl)prop-2-enylideneamino]ethyl]-1,1,1-trifluoro-N-methylpent-2-en-2-amine.
What is the SMILES notation for (Z)-N-[2-[2-(aminomethyl)prop-2-enylideneamino]ethyl]-1,1,1-trifluoro-N-methylpent-2-en-2-amine?
The canonical SMILES for (Z)-N-[2-[2-(aminomethyl)prop-2-enylideneamino]ethyl]-1,1,1-trifluoro-N-methylpent-2-en-2-amine is C=C(/C=N/CCN(C)/C(=C\CC)C(F)(F)F)CN.
What is the InChIKey of (Z)-N-[2-[2-(aminomethyl)prop-2-enylideneamino]ethyl]-1,1,1-trifluoro-N-methylpent-2-en-2-amine?
The InChIKey is PQQJGQZLONCBRP-IQTAKFGXSA-N. The full InChI is InChI=1S/C12H20F3N3/c1-4-5-11(12(13,14)15)18(3)7-6-17-9-10(2)8-16/h5,9H,2,4,6-8,16H2,1,3H3/b11-5-,17-9+.
What are the key properties of (Z)-N-[2-[2-(aminomethyl)prop-2-enylideneamino]ethyl]-1,1,1-trifluoro-N-methylpent-2-en-2-amine?
(Z)-N-[2-[2-(aminomethyl)prop-2-enylideneamino]ethyl]-1,1,1-trifluoro-N-methylpent-2-en-2-amine has a molecular weight of 263.31 g/mol, XLogP of 2.36, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-[2-[2-(aminomethyl)prop-2-enylideneamino]ethyl]-1,1,1-trifluoro-N-methylpent-2-en-2-amine is sourced from PubChem (CID 162562865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).