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

C8H16FN — CID 146341897

IUPAC3-fluoro-3-methyl-N-propan-2-ylbut-1-en-2-amine
SMILESC=C(NC(C)C)C(C)(C)F
InChIInChI=1S/C8H16FN/c1-6(2)10-7(3)8(4,5)9/h6,10H,3H2,1-2,4-5H3
InChIKeyPNSCUYSYPJAIPW-UHFFFAOYSA-N
MW145.22 g/mol
LogP2.25
Rot. Bonds3

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

3-fluoro-3-methyl-N-propan-2-ylbut-1-en-2-amine (PubChem CID 146341897) has the molecular formula C8H16FN and a molecular weight of 145.22 g/mol. Its IUPAC name is 3-fluoro-3-methyl-N-propan-2-ylbut-1-en-2-amine.

Molecular Properties

Compound Name3-fluoro-3-methyl-N-propan-2-ylbut-1-en-2-amine
PubChem CID146341897
Molecular FormulaC8H16FN
Molecular Weight145.22 g/mol
Exact Mass145.13
IUPAC Name3-fluoro-3-methyl-N-propan-2-ylbut-1-en-2-amine
SMILESC=C(NC(C)C)C(C)(C)F
InChIInChI=1S/C8H16FN/c1-6(2)10-7(3)8(4,5)9/h6,10H,3H2,1-2,4-5H3
InChIKeyPNSCUYSYPJAIPW-UHFFFAOYSA-N
XLogP2.25
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.22
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-fluoro-N-propylbut-1-en-2-amine
CID 88874456
3,3-difluoro-N-propan-2-ylbut-1-en-2-amine
CID 131998087
N'-(3-fluoro-3-methylbut-1-en-2-yl)ethane-1,2-diamine
CID 143723954
4-N-(3-fluoro-3-methylbutyl)-3,3-dimethylpenta-1,4-diene-2,4-diamine
CID 145203204
N-(2-fluoro-2-methylpropyl)-3-methylbut-1-en-2-amine
CID 146536937
N-(3-fluorobut-1-en-2-yl)cyclopropanamine
CID 154962539
4,4,4-trifluoro-N-propan-2-ylbut-1-en-2-amine
CID 168399250
2-fluoro-3-methyl-N-(3-methylbut-1-en-2-yl)butan-1-amine
CID 170005371
N-ethyl-3-fluorobut-1-en-2-amine
CID 170019433
N-(2-fluoroethyl)-3-methylbut-1-en-2-amine
CID 158006518
3,3-dimethyl-N-(1,1,1-trifluoro-3-methylbutan-2-yl)but-1-en-2-amine
CID 164980647
(2R)-N-[1-(1-fluorocyclopropyl)ethenyl]-3-methylbutan-2-amine
CID 165063750

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-3-methyl-N-propan-2-ylbut-1-en-2-amine?
The IUPAC name of 3-fluoro-3-methyl-N-propan-2-ylbut-1-en-2-amine (CID 146341897) is 3-fluoro-3-methyl-N-propan-2-ylbut-1-en-2-amine.
What is the SMILES notation for 3-fluoro-3-methyl-N-propan-2-ylbut-1-en-2-amine?
The canonical SMILES for 3-fluoro-3-methyl-N-propan-2-ylbut-1-en-2-amine is C=C(NC(C)C)C(C)(C)F.
What is the InChIKey of 3-fluoro-3-methyl-N-propan-2-ylbut-1-en-2-amine?
The InChIKey is PNSCUYSYPJAIPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16FN/c1-6(2)10-7(3)8(4,5)9/h6,10H,3H2,1-2,4-5H3.
What are the key properties of 3-fluoro-3-methyl-N-propan-2-ylbut-1-en-2-amine?
3-fluoro-3-methyl-N-propan-2-ylbut-1-en-2-amine has a molecular weight of 145.22 g/mol, XLogP of 2.25, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-3-methyl-N-propan-2-ylbut-1-en-2-amine is sourced from PubChem (CID 146341897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).