3-fluoro-N-methyl-N-propan-2-ylbut-3-en-1-amine

C8H16FN — CID 166157451

IUPAC3-fluoro-N-methyl-N-propan-2-ylbut-3-en-1-amine
SMILESC=C(F)CCN(C)C(C)C
InChIInChI=1S/C8H16FN/c1-7(2)10(4)6-5-8(3)9/h7H,3,5-6H2,1-2,4H3
InChIKeyWXJQDERFHJKKLG-UHFFFAOYSA-N
MW145.22 g/mol
LogP2.20
Rot. Bonds4

About 3-fluoro-N-methyl-N-propan-2-ylbut-3-en-1-amine

3-fluoro-N-methyl-N-propan-2-ylbut-3-en-1-amine (PubChem CID 166157451) has the molecular formula C8H16FN and a molecular weight of 145.22 g/mol. Its IUPAC name is 3-fluoro-N-methyl-N-propan-2-ylbut-3-en-1-amine.

Molecular Properties

Compound Name3-fluoro-N-methyl-N-propan-2-ylbut-3-en-1-amine
PubChem CID166157451
Molecular FormulaC8H16FN
Molecular Weight145.22 g/mol
Exact Mass145.13
IUPAC Name3-fluoro-N-methyl-N-propan-2-ylbut-3-en-1-amine
SMILESC=C(F)CCN(C)C(C)C
InChIInChI=1S/C8H16FN/c1-7(2)10(4)6-5-8(3)9/h7H,3,5-6H2,1-2,4H3
InChIKeyWXJQDERFHJKKLG-UHFFFAOYSA-N
XLogP2.20
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.22
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-fluoro-N,3-dimethyl-N-propan-2-ylbut-1-en-2-amine
CID 122645146
N-(2-fluoropropyl)-N-methylbut-1-en-2-amine
CID 144557678
1,3-difluoro-N-methyl-N-propan-2-ylbut-3-en-1-amine
CID 146392882
N-ethyl-N-[(E)-4-fluorobut-3-enyl]cyclopropanamine
CID 163433892
4-Fluoro-1-propan-2-yl-2,3,6,7-tetrahydroazepine
CID 166157427
3-fluoro-N-methyl-N-propan-2-ylpent-4-en-1-amine
CID 170602010
(2R)-N-(2-fluoro-2-methylpropyl)-N,4-dimethylpent-4-en-2-amine
CID 170950702
N-ethyl-3-fluoro-N-methylbut-3-en-1-amine
CID 172329147
(2S,3E)-N-[(2R)-butan-2-yl]-3-(fluoromethylidene)-N-methylpentan-2-amine
CID 173690933
(2S)-3-fluoro-N-methyl-N-prop-2-enylbutan-2-amine
CID 173903845
N-Ethyl-N-(but-3-enyl)pentan-3-amine
CID 547451
N-(3-fluoropropyl)-N-methylbut-3-en-1-amine
CID 130708472

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-methyl-N-propan-2-ylbut-3-en-1-amine?
The IUPAC name of 3-fluoro-N-methyl-N-propan-2-ylbut-3-en-1-amine (CID 166157451) is 3-fluoro-N-methyl-N-propan-2-ylbut-3-en-1-amine.
What is the SMILES notation for 3-fluoro-N-methyl-N-propan-2-ylbut-3-en-1-amine?
The canonical SMILES for 3-fluoro-N-methyl-N-propan-2-ylbut-3-en-1-amine is C=C(F)CCN(C)C(C)C.
What is the InChIKey of 3-fluoro-N-methyl-N-propan-2-ylbut-3-en-1-amine?
The InChIKey is WXJQDERFHJKKLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16FN/c1-7(2)10(4)6-5-8(3)9/h7H,3,5-6H2,1-2,4H3.
What are the key properties of 3-fluoro-N-methyl-N-propan-2-ylbut-3-en-1-amine?
3-fluoro-N-methyl-N-propan-2-ylbut-3-en-1-amine has a molecular weight of 145.22 g/mol, XLogP of 2.20, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-methyl-N-propan-2-ylbut-3-en-1-amine is sourced from PubChem (CID 166157451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).