(Z)-4-methyl-2-(2,2,2-trifluoroethyliminomethyl)pent-1-en-1-amine

C9H15F3N2 — CID 156898616

IUPAC(Z)-4-methyl-2-(2,2,2-trifluoroethyliminomethyl)pent-1-en-1-amine
SMILESCC(C)CC(=C/N)/C=N/CC(F)(F)F
InChIInChI=1S/C9H15F3N2/c1-7(2)3-8(4-13)5-14-6-9(10,11)12/h4-5,7H,3,6,13H2,1-2H3/b8-4-,14-5+
InChIKeySQLITSXQBKYKIB-NYQUBNGWSA-N
MW208.23 g/mol
LogP2.51
Rot. Bonds4

About (Z)-4-methyl-2-(2,2,2-trifluoroethyliminomethyl)pent-1-en-1-amine

(Z)-4-methyl-2-(2,2,2-trifluoroethyliminomethyl)pent-1-en-1-amine (PubChem CID 156898616) has the molecular formula C9H15F3N2 and a molecular weight of 208.23 g/mol. Its IUPAC name is (Z)-4-methyl-2-(2,2,2-trifluoroethyliminomethyl)pent-1-en-1-amine.

Molecular Properties

Compound Name(Z)-4-methyl-2-(2,2,2-trifluoroethyliminomethyl)pent-1-en-1-amine
PubChem CID156898616
Molecular FormulaC9H15F3N2
Molecular Weight208.23 g/mol
Exact Mass208.12
IUPAC Name(Z)-4-methyl-2-(2,2,2-trifluoroethyliminomethyl)pent-1-en-1-amine
SMILESCC(C)CC(=C/N)/C=N/CC(F)(F)F
InChIInChI=1S/C9H15F3N2/c1-7(2)3-8(4-13)5-14-6-9(10,11)12/h4-5,7H,3,6,13H2,1-2H3/b8-4-,14-5+
InChIKeySQLITSXQBKYKIB-NYQUBNGWSA-N
XLogP2.51
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.23
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2Z)-2-[(1,1,1-trifluoropropan-2-ylideneamino)methylidene]pentan-1-imine
CID 89771740
5-[(2S)-butan-2-yl]-2-(trifluoromethyl)-1,2-dihydropyrimidine
CID 89951879
(2E)-3,3-difluoro-2-[(methylideneamino)methylidene]-N-(4-methylpentyl)butan-1-imine
CID 156392882
(2Z)-2-(aminomethylidene)-N,4-dimethylpentanimidoyl fluoride
CID 156898578
(2Z)-5,6,6,6-tetrafluoro-N,5-dimethyl-2-[(methylideneamino)methylidene]hexan-1-imine
CID 167172070
(E)-2-(difluoromethyl)-3-N,4-dimethyl-1-N-methylidenepent-1-ene-1,3-diimine
CID 169901549
(Z)-2-(2-fluoroethyliminomethyl)-3-methylbut-1-en-1-amine
CID 170635884
(Z)-2-(2,2-difluoroethyliminomethyl)but-1-en-1-amine
CID 171087921
3-Methyl-2-(2,2,2-trifluoroethyliminomethyl)but-1-en-1-amine
CID 173798776
2-(Difluoromethyliminomethyl)-3-methylbut-1-en-1-amine
CID 173798779
3,3-Dimethyl-2-(trifluoromethyliminomethyl)but-1-en-1-amine
CID 173923518
4-Methyl-2-(2,2,2-trifluoroethyliminomethyl)pent-1-en-1-amine
CID 173989356

Frequently Asked Questions

What is the IUPAC name of (Z)-4-methyl-2-(2,2,2-trifluoroethyliminomethyl)pent-1-en-1-amine?
The IUPAC name of (Z)-4-methyl-2-(2,2,2-trifluoroethyliminomethyl)pent-1-en-1-amine (CID 156898616) is (Z)-4-methyl-2-(2,2,2-trifluoroethyliminomethyl)pent-1-en-1-amine.
What is the SMILES notation for (Z)-4-methyl-2-(2,2,2-trifluoroethyliminomethyl)pent-1-en-1-amine?
The canonical SMILES for (Z)-4-methyl-2-(2,2,2-trifluoroethyliminomethyl)pent-1-en-1-amine is CC(C)CC(=C/N)/C=N/CC(F)(F)F.
What is the InChIKey of (Z)-4-methyl-2-(2,2,2-trifluoroethyliminomethyl)pent-1-en-1-amine?
The InChIKey is SQLITSXQBKYKIB-NYQUBNGWSA-N. The full InChI is InChI=1S/C9H15F3N2/c1-7(2)3-8(4-13)5-14-6-9(10,11)12/h4-5,7H,3,6,13H2,1-2H3/b8-4-,14-5+.
What are the key properties of (Z)-4-methyl-2-(2,2,2-trifluoroethyliminomethyl)pent-1-en-1-amine?
(Z)-4-methyl-2-(2,2,2-trifluoroethyliminomethyl)pent-1-en-1-amine has a molecular weight of 208.23 g/mol, XLogP of 2.51, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-methyl-2-(2,2,2-trifluoroethyliminomethyl)pent-1-en-1-amine is sourced from PubChem (CID 156898616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).