(2S)-3-fluoro-N,4-dimethylpent-3-en-2-amine

C7H14FN — CID 156837500

IUPAC(2S)-3-fluoro-N,4-dimethylpent-3-en-2-amine
SMILESCN[C@@H](C)C(F)=C(C)C
InChIInChI=1S/C7H14FN/c1-5(2)7(8)6(3)9-4/h6,9H,1-4H3/t6-/m0/s1
InChIKeyMNGAYPHLHJGNEW-LURJTMIESA-N
MW131.19 g/mol
LogP1.86
Rot. Bonds2

About (2S)-3-fluoro-N,4-dimethylpent-3-en-2-amine

(2S)-3-fluoro-N,4-dimethylpent-3-en-2-amine (PubChem CID 156837500) has the molecular formula C7H14FN and a molecular weight of 131.19 g/mol. Its IUPAC name is (2S)-3-fluoro-N,4-dimethylpent-3-en-2-amine.

Molecular Properties

Compound Name(2S)-3-fluoro-N,4-dimethylpent-3-en-2-amine
PubChem CID156837500
Molecular FormulaC7H14FN
Molecular Weight131.19 g/mol
Exact Mass131.11
IUPAC Name(2S)-3-fluoro-N,4-dimethylpent-3-en-2-amine
SMILESCN[C@@H](C)C(F)=C(C)C
InChIInChI=1S/C7H14FN/c1-5(2)7(8)6(3)9-4/h6,9H,1-4H3/t6-/m0/s1
InChIKeyMNGAYPHLHJGNEW-LURJTMIESA-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 (2S)-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
3-fluoro-N,4-dimethylpent-3-en-2-amine
CID 145325822
(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
(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 (2S)-3-fluoro-N,4-dimethylpent-3-en-2-amine?
The IUPAC name of (2S)-3-fluoro-N,4-dimethylpent-3-en-2-amine (CID 156837500) is (2S)-3-fluoro-N,4-dimethylpent-3-en-2-amine.
What is the SMILES notation for (2S)-3-fluoro-N,4-dimethylpent-3-en-2-amine?
The canonical SMILES for (2S)-3-fluoro-N,4-dimethylpent-3-en-2-amine is CN[C@@H](C)C(F)=C(C)C.
What is the InChIKey of (2S)-3-fluoro-N,4-dimethylpent-3-en-2-amine?
The InChIKey is MNGAYPHLHJGNEW-LURJTMIESA-N. The full InChI is InChI=1S/C7H14FN/c1-5(2)7(8)6(3)9-4/h6,9H,1-4H3/t6-/m0/s1.
What are the key properties of (2S)-3-fluoro-N,4-dimethylpent-3-en-2-amine?
(2S)-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 (2S)-3-fluoro-N,4-dimethylpent-3-en-2-amine is sourced from PubChem (CID 156837500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).