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

C11H22FN — CID 84820319

IUPAC2-fluoro-3-methyl-N,N-di(propan-2-yl)but-2-en-1-amine
SMILESCC(C)=C(F)CN(C(C)C)C(C)C
InChIInChI=1S/C11H22FN/c1-8(2)11(12)7-13(9(3)4)10(5)6/h9-10H,7H2,1-6H3
InChIKeyRTRZTNMKMUZJBY-UHFFFAOYSA-N
MW187.30 g/mol
LogP3.37
Rot. Bonds4

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

2-fluoro-3-methyl-N,N-di(propan-2-yl)but-2-en-1-amine (PubChem CID 84820319) has the molecular formula C11H22FN and a molecular weight of 187.30 g/mol. Its IUPAC name is 2-fluoro-3-methyl-N,N-di(propan-2-yl)but-2-en-1-amine.

Molecular Properties

Compound Name2-fluoro-3-methyl-N,N-di(propan-2-yl)but-2-en-1-amine
PubChem CID84820319
Molecular FormulaC11H22FN
Molecular Weight187.30 g/mol
Exact Mass187.17
IUPAC Name2-fluoro-3-methyl-N,N-di(propan-2-yl)but-2-en-1-amine
SMILESCC(C)=C(F)CN(C(C)C)C(C)C
InChIInChI=1S/C11H22FN/c1-8(2)11(12)7-13(9(3)4)10(5)6/h9-10H,7H2,1-6H3
InChIKeyRTRZTNMKMUZJBY-UHFFFAOYSA-N
XLogP3.37
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.30
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-3-methyl-N,N-di(propan-2-yl)but-2-en-1-amine?
The IUPAC name of 2-fluoro-3-methyl-N,N-di(propan-2-yl)but-2-en-1-amine (CID 84820319) is 2-fluoro-3-methyl-N,N-di(propan-2-yl)but-2-en-1-amine.
What is the SMILES notation for 2-fluoro-3-methyl-N,N-di(propan-2-yl)but-2-en-1-amine?
The canonical SMILES for 2-fluoro-3-methyl-N,N-di(propan-2-yl)but-2-en-1-amine is CC(C)=C(F)CN(C(C)C)C(C)C.
What is the InChIKey of 2-fluoro-3-methyl-N,N-di(propan-2-yl)but-2-en-1-amine?
The InChIKey is RTRZTNMKMUZJBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22FN/c1-8(2)11(12)7-13(9(3)4)10(5)6/h9-10H,7H2,1-6H3.
What are the key properties of 2-fluoro-3-methyl-N,N-di(propan-2-yl)but-2-en-1-amine?
2-fluoro-3-methyl-N,N-di(propan-2-yl)but-2-en-1-amine has a molecular weight of 187.30 g/mol, XLogP of 3.37, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-3-methyl-N,N-di(propan-2-yl)but-2-en-1-amine is sourced from PubChem (CID 84820319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).