(Z)-3-(2-fluoroethyliminomethyl)-4-methylpent-2-en-2-amine

C9H17FN2 — CID 170635933

IUPAC(Z)-3-(2-fluoroethyliminomethyl)-4-methylpent-2-en-2-amine
SMILESC/C(N)=C(/C=N/CCF)C(C)C
InChIInChI=1S/C9H17FN2/c1-7(2)9(8(3)11)6-12-5-4-10/h6-7H,4-5,11H2,1-3H3/b9-8+,12-6+
InChIKeyBDOAVJQGAPZHJJ-UYVFLQAESA-N
MW172.25 g/mol
LogP1.92
Rot. Bonds4

About (Z)-3-(2-fluoroethyliminomethyl)-4-methylpent-2-en-2-amine

(Z)-3-(2-fluoroethyliminomethyl)-4-methylpent-2-en-2-amine (PubChem CID 170635933) has the molecular formula C9H17FN2 and a molecular weight of 172.25 g/mol. Its IUPAC name is (Z)-3-(2-fluoroethyliminomethyl)-4-methylpent-2-en-2-amine.

Molecular Properties

Compound Name(Z)-3-(2-fluoroethyliminomethyl)-4-methylpent-2-en-2-amine
PubChem CID170635933
Molecular FormulaC9H17FN2
Molecular Weight172.25 g/mol
Exact Mass172.14
IUPAC Name(Z)-3-(2-fluoroethyliminomethyl)-4-methylpent-2-en-2-amine
SMILESC/C(N)=C(/C=N/CCF)C(C)C
InChIInChI=1S/C9H17FN2/c1-7(2)9(8(3)11)6-12-5-4-10/h6-7H,4-5,11H2,1-3H3/b9-8+,12-6+
InChIKeyBDOAVJQGAPZHJJ-UYVFLQAESA-N
XLogP1.92
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.25
LogP ≤ 51.92
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

(E)-1,1,1-trifluoro-4-methyl-2-[[(Z)-pent-2-en-3-yl]iminomethyl]pent-2-en-3-amine
CID 138700812
(2Z)-2-(1-aminoethylidene)-N-ethyl-4-methylpentanimidoyl fluoride
CID 156898951
(Z)-1,1,1-trifluoro-4-methyl-3-(methyliminomethyl)pent-2-en-2-amine
CID 170386989
(5S)-5,6-difluoro-1-imino-2,5-dimethylhex-2-en-3-amine
CID 173908680
1,1,1-Trifluoro-4-methyl-3-(methyliminomethyl)pent-2-en-2-amine
CID 174150702
(Z)-5-methyl-4-(methyliminomethyl)hex-3-en-3-amine
CID 88579646
(Z)-2,5-dimethyl-4-(methyliminomethyl)hex-3-en-3-amine
CID 89002637
(Z)-4-methanimidoyl-2,5-dimethylhex-3-en-3-amine
CID 90075990
(Z)-4-(methyliminomethyl)hex-3-en-3-amine
CID 90299196
4-methyl-3-N-(2-methylbutylidene)pent-3-ene-2,3-diimine
CID 126599283
(E)-3-(ethynyliminomethyl)-6-methylhept-3-en-4-amine
CID 126729511
(Z)-3-methanimidoyl-4-methylpent-2-en-2-amine
CID 139389309

Frequently Asked Questions

What is the IUPAC name of (Z)-3-(2-fluoroethyliminomethyl)-4-methylpent-2-en-2-amine?
The IUPAC name of (Z)-3-(2-fluoroethyliminomethyl)-4-methylpent-2-en-2-amine (CID 170635933) is (Z)-3-(2-fluoroethyliminomethyl)-4-methylpent-2-en-2-amine.
What is the SMILES notation for (Z)-3-(2-fluoroethyliminomethyl)-4-methylpent-2-en-2-amine?
The canonical SMILES for (Z)-3-(2-fluoroethyliminomethyl)-4-methylpent-2-en-2-amine is C/C(N)=C(/C=N/CCF)C(C)C.
What is the InChIKey of (Z)-3-(2-fluoroethyliminomethyl)-4-methylpent-2-en-2-amine?
The InChIKey is BDOAVJQGAPZHJJ-UYVFLQAESA-N. The full InChI is InChI=1S/C9H17FN2/c1-7(2)9(8(3)11)6-12-5-4-10/h6-7H,4-5,11H2,1-3H3/b9-8+,12-6+.
What are the key properties of (Z)-3-(2-fluoroethyliminomethyl)-4-methylpent-2-en-2-amine?
(Z)-3-(2-fluoroethyliminomethyl)-4-methylpent-2-en-2-amine has a molecular weight of 172.25 g/mol, XLogP of 1.92, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-(2-fluoroethyliminomethyl)-4-methylpent-2-en-2-amine is sourced from PubChem (CID 170635933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).