3-fluoro-4-methyl-N,N-di(propan-2-yl)pent-1-en-3-amine

C12H24FN — CID 151528750

IUPAC3-fluoro-4-methyl-N,N-di(propan-2-yl)pent-1-en-3-amine
SMILESC=CC(F)(C(C)C)N(C(C)C)C(C)C
InChIInChI=1S/C12H24FN/c1-8-12(13,9(2)3)14(10(4)5)11(6)7/h8-11H,1H2,2-7H3
InChIKeyPWAKRHUKNMXILK-UHFFFAOYSA-N
MW201.33 g/mol
LogP3.61
Rot. Bonds5

About 3-fluoro-4-methyl-N,N-di(propan-2-yl)pent-1-en-3-amine

3-fluoro-4-methyl-N,N-di(propan-2-yl)pent-1-en-3-amine (PubChem CID 151528750) has the molecular formula C12H24FN and a molecular weight of 201.33 g/mol. Its IUPAC name is 3-fluoro-4-methyl-N,N-di(propan-2-yl)pent-1-en-3-amine.

Molecular Properties

Compound Name3-fluoro-4-methyl-N,N-di(propan-2-yl)pent-1-en-3-amine
PubChem CID151528750
Molecular FormulaC12H24FN
Molecular Weight201.33 g/mol
Exact Mass201.19
IUPAC Name3-fluoro-4-methyl-N,N-di(propan-2-yl)pent-1-en-3-amine
SMILESC=CC(F)(C(C)C)N(C(C)C)C(C)C
InChIInChI=1S/C12H24FN/c1-8-12(13,9(2)3)14(10(4)5)11(6)7/h8-11H,1H2,2-7H3
InChIKeyPWAKRHUKNMXILK-UHFFFAOYSA-N
XLogP3.61
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.33
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

N-butyl-N-(1-cycloprop-2-en-1-ylethyl)-4-fluorobutan-1-amine
CID 134405267
(Z)-N-(1-fluoroethyl)-N,2-dimethylhex-4-en-3-amine
CID 146200231
N-(1-fluoroethyl)-N-methyl-2-propan-2-ylbut-3-en-1-amine
CID 170249868
(2R,3R)-4-fluoro-N,N,3-trimethylhex-5-en-2-amine
CID 173954648
(6R)-3-fluoro-1,6-di(propan-2-yl)-3,6-dihydro-2H-pyridine
CID 178929991
(7R)-3-fluoro-1,7-di(propan-2-yl)-2,3,4,7-tetrahydroazepine
CID 178930032
(2S,6R)-4-fluoro-2-methyl-1,6-di(propan-2-yl)-3,6-dihydro-2H-pyridine
CID 178930298
(6R)-5-fluoro-1,6-di(propan-2-yl)-3,6-dihydro-2H-pyridine
CID 178930337
3-fluoro-1,6-di(propan-2-yl)-3,6-dihydro-2H-pyridine
CID 178930491
(7R)-4-fluoro-1,7-di(propan-2-yl)-2,3,4,7-tetrahydroazepine
CID 178931933
(2S,6R)-5-fluoro-2-methyl-1,6-di(propan-2-yl)-3,6-dihydro-2H-pyridine
CID 178932444
(6R)-4-fluoro-1,6-di(propan-2-yl)-3,6-dihydro-2H-pyridine
CID 178932819

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-methyl-N,N-di(propan-2-yl)pent-1-en-3-amine?
The IUPAC name of 3-fluoro-4-methyl-N,N-di(propan-2-yl)pent-1-en-3-amine (CID 151528750) is 3-fluoro-4-methyl-N,N-di(propan-2-yl)pent-1-en-3-amine.
What is the SMILES notation for 3-fluoro-4-methyl-N,N-di(propan-2-yl)pent-1-en-3-amine?
The canonical SMILES for 3-fluoro-4-methyl-N,N-di(propan-2-yl)pent-1-en-3-amine is C=CC(F)(C(C)C)N(C(C)C)C(C)C.
What is the InChIKey of 3-fluoro-4-methyl-N,N-di(propan-2-yl)pent-1-en-3-amine?
The InChIKey is PWAKRHUKNMXILK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24FN/c1-8-12(13,9(2)3)14(10(4)5)11(6)7/h8-11H,1H2,2-7H3.
What are the key properties of 3-fluoro-4-methyl-N,N-di(propan-2-yl)pent-1-en-3-amine?
3-fluoro-4-methyl-N,N-di(propan-2-yl)pent-1-en-3-amine has a molecular weight of 201.33 g/mol, XLogP of 3.61, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-methyl-N,N-di(propan-2-yl)pent-1-en-3-amine is sourced from PubChem (CID 151528750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).