(E)-3-fluoro-4-N-methylpent-2-ene-2,4-diamine

C6H13FN2 — CID 146384681

IUPAC(E)-3-fluoro-4-N-methylpent-2-ene-2,4-diamine
SMILESCNC(C)/C(F)=C(/C)N
InChIInChI=1S/C6H13FN2/c1-4(8)6(7)5(2)9-3/h5,9H,8H2,1-3H3/b6-4+
InChIKeyMWDCHGGJGLQVGK-GQCTYLIASA-N
MW132.18 g/mol
LogP0.75
Rot. Bonds2

About (E)-3-fluoro-4-N-methylpent-2-ene-2,4-diamine

(E)-3-fluoro-4-N-methylpent-2-ene-2,4-diamine (PubChem CID 146384681) has the molecular formula C6H13FN2 and a molecular weight of 132.18 g/mol. Its IUPAC name is (E)-3-fluoro-4-N-methylpent-2-ene-2,4-diamine.

Molecular Properties

Compound Name(E)-3-fluoro-4-N-methylpent-2-ene-2,4-diamine
PubChem CID146384681
Molecular FormulaC6H13FN2
Molecular Weight132.18 g/mol
Exact Mass132.11
IUPAC Name(E)-3-fluoro-4-N-methylpent-2-ene-2,4-diamine
SMILESCNC(C)/C(F)=C(/C)N
InChIInChI=1S/C6H13FN2/c1-4(8)6(7)5(2)9-3/h5,9H,8H2,1-3H3/b6-4+
InChIKeyMWDCHGGJGLQVGK-GQCTYLIASA-N
XLogP0.75
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.18
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(E)-3-fluoropent-3-ene-1,4-diamine
CID 89419025
(Z)-3-fluoro-N-methylpent-2-en-2-amine
CID 89419652
(E)-3-fluoro-2-N-methylpent-2-ene-1,2-diamine
CID 139576018
3-fluoro-N,4-dimethylpent-3-en-2-amine
CID 145325822
(E)-2-fluoro-1-N-methylbut-2-ene-1,3-diamine
CID 146384600
(E)-2-N-ethyl-3-fluoropent-2-ene-1,2-diamine
CID 156569840
(2S)-3-fluoro-N,4-dimethylpent-3-en-2-amine
CID 156837500
(E)-2-fluoro-N-methylpent-2-en-3-amine
CID 166810936
(Z)-5,5,5-trifluoro-2-N,4-N-dimethylpent-2-ene-2,4-diamine
CID 167213952
(E)-3-fluoropent-2-ene-1,2-diamine
CID 167222079
(Z)-4-fluoro-N-methylhex-3-en-3-amine
CID 170097041
(E)-4-fluoro-3-N,4-dimethylpent-2-ene-2,3-diamine
CID 172283266

Frequently Asked Questions

What is the IUPAC name of (E)-3-fluoro-4-N-methylpent-2-ene-2,4-diamine?
The IUPAC name of (E)-3-fluoro-4-N-methylpent-2-ene-2,4-diamine (CID 146384681) is (E)-3-fluoro-4-N-methylpent-2-ene-2,4-diamine.
What is the SMILES notation for (E)-3-fluoro-4-N-methylpent-2-ene-2,4-diamine?
The canonical SMILES for (E)-3-fluoro-4-N-methylpent-2-ene-2,4-diamine is CNC(C)/C(F)=C(/C)N.
What is the InChIKey of (E)-3-fluoro-4-N-methylpent-2-ene-2,4-diamine?
The InChIKey is MWDCHGGJGLQVGK-GQCTYLIASA-N. The full InChI is InChI=1S/C6H13FN2/c1-4(8)6(7)5(2)9-3/h5,9H,8H2,1-3H3/b6-4+.
What are the key properties of (E)-3-fluoro-4-N-methylpent-2-ene-2,4-diamine?
(E)-3-fluoro-4-N-methylpent-2-ene-2,4-diamine has a molecular weight of 132.18 g/mol, XLogP of 0.75, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-fluoro-4-N-methylpent-2-ene-2,4-diamine is sourced from PubChem (CID 146384681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).