(E)-N-[(2R)-1-fluoropropan-2-yl]-N-methylbut-1-en-1-amine

C8H16FN — CID 163510067

IUPAC(E)-N-[(2R)-1-fluoropropan-2-yl]-N-methylbut-1-en-1-amine
SMILESCC/C=C/N(C)[C@H](C)CF
InChIInChI=1S/C8H16FN/c1-4-5-6-10(3)8(2)7-9/h5-6,8H,4,7H2,1-3H3/b6-5+/t8-/m1/s1
InChIKeyDBYMFLVTUZSVAB-HQZHTGGTSA-N
MW145.22 g/mol
LogP2.20
Rot. Bonds4

About (E)-N-[(2R)-1-fluoropropan-2-yl]-N-methylbut-1-en-1-amine

(E)-N-[(2R)-1-fluoropropan-2-yl]-N-methylbut-1-en-1-amine (PubChem CID 163510067) has the molecular formula C8H16FN and a molecular weight of 145.22 g/mol. Its IUPAC name is (E)-N-[(2R)-1-fluoropropan-2-yl]-N-methylbut-1-en-1-amine.

Molecular Properties

Compound Name(E)-N-[(2R)-1-fluoropropan-2-yl]-N-methylbut-1-en-1-amine
PubChem CID163510067
Molecular FormulaC8H16FN
Molecular Weight145.22 g/mol
Exact Mass145.13
IUPAC Name(E)-N-[(2R)-1-fluoropropan-2-yl]-N-methylbut-1-en-1-amine
SMILESCC/C=C/N(C)[C@H](C)CF
InChIInChI=1S/C8H16FN/c1-4-5-6-10(3)8(2)7-9/h5-6,8H,4,7H2,1-3H3/b6-5+/t8-/m1/s1
InChIKeyDBYMFLVTUZSVAB-HQZHTGGTSA-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

Analyze (E)-N-[(2R)-1-fluoropropan-2-yl]-N-methylbut-1-en-1-amine with MolForge

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Related Compounds

1-Butene-1,3-diamine, N1,N1,N3,N3-tetramethyl-
CID 86547
(E)-N,N-diethylbut-1-en-1-amine
CID 12664030
1-propan-2-yl-4H-pyridine
CID 57891989
N-(5-fluorohexa-1,4-dienyl)-N-methylcyclopropanamine
CID 123820949
(1E,3E)-N-but-3-en-2-yl-1-fluoro-N-methylpenta-1,3-dien-1-amine
CID 129055567
1-Tert-butyl-4-fluoro-4,5-dihydroazepine
CID 163452796
(1E)-N-butan-2-yl-1-fluoro-N-methylbuta-1,3-dien-1-amine
CID 170271202
(E)-N,N-di(propan-2-yl)prop-1-en-1-amine
CID 45087879
(E)-3-methyl-N,N-di(propan-2-yl)but-1-en-1-amine
CID 134853882
3-fluoro-1-methyl-4H-pyridine
CID 102267783
(E)-1-N,1-N,3-N,3-N-tetramethylbut-1-ene-1,3-diamine
CID 6537975
(E)-1-N,1-N,3-N,3-N-tetraethylbut-1-ene-1,3-diamine
CID 10910504

Frequently Asked Questions

What is the IUPAC name of (E)-N-[(2R)-1-fluoropropan-2-yl]-N-methylbut-1-en-1-amine?
The IUPAC name of (E)-N-[(2R)-1-fluoropropan-2-yl]-N-methylbut-1-en-1-amine (CID 163510067) is (E)-N-[(2R)-1-fluoropropan-2-yl]-N-methylbut-1-en-1-amine.
What is the SMILES notation for (E)-N-[(2R)-1-fluoropropan-2-yl]-N-methylbut-1-en-1-amine?
The canonical SMILES for (E)-N-[(2R)-1-fluoropropan-2-yl]-N-methylbut-1-en-1-amine is CC/C=C/N(C)[C@H](C)CF.
What is the InChIKey of (E)-N-[(2R)-1-fluoropropan-2-yl]-N-methylbut-1-en-1-amine?
The InChIKey is DBYMFLVTUZSVAB-HQZHTGGTSA-N. The full InChI is InChI=1S/C8H16FN/c1-4-5-6-10(3)8(2)7-9/h5-6,8H,4,7H2,1-3H3/b6-5+/t8-/m1/s1.
What are the key properties of (E)-N-[(2R)-1-fluoropropan-2-yl]-N-methylbut-1-en-1-amine?
(E)-N-[(2R)-1-fluoropropan-2-yl]-N-methylbut-1-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 (E)-N-[(2R)-1-fluoropropan-2-yl]-N-methylbut-1-en-1-amine is sourced from PubChem (CID 163510067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).