3-fluoro-N,4-dimethylpent-3-en-2-amine

C7H14FN — CID 145325822

IUPAC3-fluoro-N,4-dimethylpent-3-en-2-amine
SMILESCNC(C)C(F)=C(C)C
InChIInChI=1S/C7H14FN/c1-5(2)7(8)6(3)9-4/h6,9H,1-4H3
InChIKeyMNGAYPHLHJGNEW-UHFFFAOYSA-N
MW131.19 g/mol
LogP1.86
Rot. Bonds2

About 3-fluoro-N,4-dimethylpent-3-en-2-amine

3-fluoro-N,4-dimethylpent-3-en-2-amine (PubChem CID 145325822) has the molecular formula C7H14FN and a molecular weight of 131.19 g/mol. Its IUPAC name is 3-fluoro-N,4-dimethylpent-3-en-2-amine.

Molecular Properties

Compound Name3-fluoro-N,4-dimethylpent-3-en-2-amine
PubChem CID145325822
Molecular FormulaC7H14FN
Molecular Weight131.19 g/mol
Exact Mass131.11
IUPAC Name3-fluoro-N,4-dimethylpent-3-en-2-amine
SMILESCNC(C)C(F)=C(C)C
InChIInChI=1S/C7H14FN/c1-5(2)7(8)6(3)9-4/h6,9H,1-4H3
InChIKeyMNGAYPHLHJGNEW-UHFFFAOYSA-N
XLogP1.86
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.19
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 3-fluoro-N,4-dimethylpent-3-en-2-amine 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

(2R)-3-fluoro-4-methylpent-3-en-2-amine
CID 90020542
3-Fluoro-4-methylpent-3-en-2-amine
CID 90020604
1-(Azetidin-3-ylidene)-1-fluoropropan-2-amine
CID 90920575
(Z,2S)-3-fluoro-N-methylpent-3-en-2-amine
CID 122674591
(2S)-3-fluoro-4-methylpent-3-en-2-amine
CID 126623132
(E)-3-fluoro-4-N-methylpent-2-ene-2,4-diamine
CID 146384681
(2S)-3-fluoro-4-methyl-N-propan-2-ylpent-3-en-2-amine
CID 146435947
(2S)-3-fluoro-N,4-dimethylpent-3-en-2-amine
CID 156837500
(E)-5-fluoro-N,4,5-trimethylhex-3-en-2-amine
CID 166651412
1,1,1-trifluoro-N,4-dimethylpent-3-en-2-amine
CID 55282289
1,1-difluoro-N,4-dimethylpent-3-en-2-amine
CID 103516832
N,4-dimethylpent-3-en-2-amine
CID 79177486

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N,4-dimethylpent-3-en-2-amine?
The IUPAC name of 3-fluoro-N,4-dimethylpent-3-en-2-amine (CID 145325822) is 3-fluoro-N,4-dimethylpent-3-en-2-amine.
What is the SMILES notation for 3-fluoro-N,4-dimethylpent-3-en-2-amine?
The canonical SMILES for 3-fluoro-N,4-dimethylpent-3-en-2-amine is CNC(C)C(F)=C(C)C.
What is the InChIKey of 3-fluoro-N,4-dimethylpent-3-en-2-amine?
The InChIKey is MNGAYPHLHJGNEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14FN/c1-5(2)7(8)6(3)9-4/h6,9H,1-4H3.
What are the key properties of 3-fluoro-N,4-dimethylpent-3-en-2-amine?
3-fluoro-N,4-dimethylpent-3-en-2-amine has a molecular weight of 131.19 g/mol, XLogP of 1.86, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N,4-dimethylpent-3-en-2-amine is sourced from PubChem (CID 145325822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).