(E)-3-fluoro-2-N-methylpent-2-ene-1,2-diamine

C6H13FN2 — CID 139576018

IUPAC(E)-3-fluoro-2-N-methylpent-2-ene-1,2-diamine
SMILESCC/C(F)=C(/CN)NC
InChIInChI=1S/C6H13FN2/c1-3-5(7)6(4-8)9-2/h9H,3-4,8H2,1-2H3/b6-5+
InChIKeyPFHFETIEDNLFFW-AATRIKPKSA-N
MW132.18 g/mol
LogP0.76
Rot. Bonds3

About (E)-3-fluoro-2-N-methylpent-2-ene-1,2-diamine

(E)-3-fluoro-2-N-methylpent-2-ene-1,2-diamine (PubChem CID 139576018) has the molecular formula C6H13FN2 and a molecular weight of 132.18 g/mol. Its IUPAC name is (E)-3-fluoro-2-N-methylpent-2-ene-1,2-diamine.

Molecular Properties

Compound Name(E)-3-fluoro-2-N-methylpent-2-ene-1,2-diamine
PubChem CID139576018
Molecular FormulaC6H13FN2
Molecular Weight132.18 g/mol
Exact Mass132.11
IUPAC Name(E)-3-fluoro-2-N-methylpent-2-ene-1,2-diamine
SMILESCC/C(F)=C(/CN)NC
InChIInChI=1S/C6H13FN2/c1-3-5(7)6(4-8)9-2/h9H,3-4,8H2,1-2H3/b6-5+
InChIKeyPFHFETIEDNLFFW-AATRIKPKSA-N
XLogP0.76
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.18
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (E)-3-fluoro-2-N-methylpent-2-ene-1,2-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(Z)-3-fluoro-N-methylpent-2-en-2-amine
CID 89419652
(E)-3-fluoro-2-N-methylbut-2-ene-1,2-diamine
CID 139576336
(E)-3-fluoro-2-N,4,4-trimethylpent-2-ene-1,2-diamine
CID 139576354
(E)-3-fluoro-4-N-methylpent-2-ene-2,4-diamine
CID 146384681
(E)-2-N-ethyl-3-fluoropent-2-ene-1,2-diamine
CID 156569840
4-N-fluoro-5-N-methyl-1,2,3,6-tetrahydropyridine-4,5-diamine
CID 167008757
(E)-3-fluoropent-2-ene-1,2-diamine
CID 167222079
(E)-2-N-methylpent-2-ene-1,2-diamine
CID 126571699
(Z)-2-N-methylpent-2-ene-1,2-diamine
CID 126663344
(Z)-1-N,2-N-dimethylhex-2-ene-1,2,3-triamine
CID 139458625
4-N-methyl-1,2,3,6-tetrahydropyridine-4,5-diamine
CID 142926421
5-N-methyl-1,2,3,6-tetrahydropyridine-4,5-diamine
CID 144168400

Frequently Asked Questions

What is the IUPAC name of (E)-3-fluoro-2-N-methylpent-2-ene-1,2-diamine?
The IUPAC name of (E)-3-fluoro-2-N-methylpent-2-ene-1,2-diamine (CID 139576018) is (E)-3-fluoro-2-N-methylpent-2-ene-1,2-diamine.
What is the SMILES notation for (E)-3-fluoro-2-N-methylpent-2-ene-1,2-diamine?
The canonical SMILES for (E)-3-fluoro-2-N-methylpent-2-ene-1,2-diamine is CC/C(F)=C(/CN)NC.
What is the InChIKey of (E)-3-fluoro-2-N-methylpent-2-ene-1,2-diamine?
The InChIKey is PFHFETIEDNLFFW-AATRIKPKSA-N. The full InChI is InChI=1S/C6H13FN2/c1-3-5(7)6(4-8)9-2/h9H,3-4,8H2,1-2H3/b6-5+.
What are the key properties of (E)-3-fluoro-2-N-methylpent-2-ene-1,2-diamine?
(E)-3-fluoro-2-N-methylpent-2-ene-1,2-diamine has a molecular weight of 132.18 g/mol, XLogP of 0.76, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-fluoro-2-N-methylpent-2-ene-1,2-diamine is sourced from PubChem (CID 139576018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).