(Z)-2-[(E)-fluoromethyliminomethyl]-3-methylpent-1-en-1-amine

C8H15FN2 — CID 153364260

IUPAC(Z)-2-[(E)-fluoromethyliminomethyl]-3-methylpent-1-en-1-amine
SMILESCCC(C)C(=C/N)/C=N/CF
InChIInChI=1S/C8H15FN2/c1-3-7(2)8(4-10)5-11-6-9/h4-5,7H,3,6,10H2,1-2H3/b8-4+,11-5+
InChIKeyNGDHFIIXBGQPNY-JNKBEKGTSA-N
MW158.22 g/mol
LogP1.87
Rot. Bonds4

About (Z)-2-[(E)-fluoromethyliminomethyl]-3-methylpent-1-en-1-amine

(Z)-2-[(E)-fluoromethyliminomethyl]-3-methylpent-1-en-1-amine (PubChem CID 153364260) has the molecular formula C8H15FN2 and a molecular weight of 158.22 g/mol. Its IUPAC name is (Z)-2-[(E)-fluoromethyliminomethyl]-3-methylpent-1-en-1-amine.

Molecular Properties

Compound Name(Z)-2-[(E)-fluoromethyliminomethyl]-3-methylpent-1-en-1-amine
PubChem CID153364260
Molecular FormulaC8H15FN2
Molecular Weight158.22 g/mol
Exact Mass158.12
IUPAC Name(Z)-2-[(E)-fluoromethyliminomethyl]-3-methylpent-1-en-1-amine
SMILESCCC(C)C(=C/N)/C=N/CF
InChIInChI=1S/C8H15FN2/c1-3-7(2)8(4-10)5-11-6-9/h4-5,7H,3,6,10H2,1-2H3/b8-4+,11-5+
InChIKeyNGDHFIIXBGQPNY-JNKBEKGTSA-N
XLogP1.87
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.22
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-[(2S)-butan-2-yl]-2-(trifluoromethyl)-1,2-dihydropyrimidine
CID 89951879
2-(aminomethylidene)-N,3-dimethylbutanimidoyl fluoride
CID 147306401
(2Z)-2-(aminomethylidene)-N,4-dimethylpentanimidoyl fluoride
CID 156898578
(Z)-4-methyl-2-(2,2,2-trifluoroethyliminomethyl)pent-1-en-1-amine
CID 156898616
(Z)-2-(2-fluoroethyliminomethyl)-3-methylbut-1-en-1-amine
CID 170635884
3-Methyl-2-(2,2,2-trifluoroethyliminomethyl)but-1-en-1-amine
CID 173798776
2-(Difluoromethyliminomethyl)-3-methylbut-1-en-1-amine
CID 173798779
4-Methyl-2-(2,2,2-trifluoroethyliminomethyl)pent-1-en-1-amine
CID 173989356
N-[(Z,3R)-2,3-dimethylpent-1-enyl]-2-(trifluoromethyl)prop-2-en-1-imine
CID 170710110
(Z)-3-methyl-2-(methyliminomethyl)but-1-en-1-amine
CID 118426173
(Z)-2-(methyliminomethyl)pent-1-en-1-amine
CID 132186183
(Z)-(4,4,5-trimethyl-3-pyridinylidene)methanamine
CID 135219988

Frequently Asked Questions

What is the IUPAC name of (Z)-2-[(E)-fluoromethyliminomethyl]-3-methylpent-1-en-1-amine?
The IUPAC name of (Z)-2-[(E)-fluoromethyliminomethyl]-3-methylpent-1-en-1-amine (CID 153364260) is (Z)-2-[(E)-fluoromethyliminomethyl]-3-methylpent-1-en-1-amine.
What is the SMILES notation for (Z)-2-[(E)-fluoromethyliminomethyl]-3-methylpent-1-en-1-amine?
The canonical SMILES for (Z)-2-[(E)-fluoromethyliminomethyl]-3-methylpent-1-en-1-amine is CCC(C)C(=C/N)/C=N/CF.
What is the InChIKey of (Z)-2-[(E)-fluoromethyliminomethyl]-3-methylpent-1-en-1-amine?
The InChIKey is NGDHFIIXBGQPNY-JNKBEKGTSA-N. The full InChI is InChI=1S/C8H15FN2/c1-3-7(2)8(4-10)5-11-6-9/h4-5,7H,3,6,10H2,1-2H3/b8-4+,11-5+.
What are the key properties of (Z)-2-[(E)-fluoromethyliminomethyl]-3-methylpent-1-en-1-amine?
(Z)-2-[(E)-fluoromethyliminomethyl]-3-methylpent-1-en-1-amine has a molecular weight of 158.22 g/mol, XLogP of 1.87, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-[(E)-fluoromethyliminomethyl]-3-methylpent-1-en-1-amine is sourced from PubChem (CID 153364260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).