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

C12H24FN — CID 175243353

IUPAC3-fluoro-4-methyl-N,N-di(propan-2-yl)pent-3-en-2-amine
SMILESCC(C)=C(F)C(C)N(C(C)C)C(C)C
InChIInChI=1S/C12H24FN/c1-8(2)12(13)11(7)14(9(3)4)10(5)6/h9-11H,1-7H3
InChIKeyHMGMELOLIYZWOV-UHFFFAOYSA-N
MW201.33 g/mol
LogP3.76
Rot. Bonds4

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

3-fluoro-4-methyl-N,N-di(propan-2-yl)pent-3-en-2-amine (PubChem CID 175243353) 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-3-en-2-amine.

Molecular Properties

Compound Name3-fluoro-4-methyl-N,N-di(propan-2-yl)pent-3-en-2-amine
PubChem CID175243353
Molecular FormulaC12H24FN
Molecular Weight201.33 g/mol
Exact Mass201.19
IUPAC Name3-fluoro-4-methyl-N,N-di(propan-2-yl)pent-3-en-2-amine
SMILESCC(C)=C(F)C(C)N(C(C)C)C(C)C
InChIInChI=1S/C12H24FN/c1-8(2)12(13)11(7)14(9(3)4)10(5)6/h9-11H,1-7H3
InChIKeyHMGMELOLIYZWOV-UHFFFAOYSA-N
XLogP3.76
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.33
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-methyl-N,N-di(propan-2-yl)pent-3-en-2-amine?
The IUPAC name of 3-fluoro-4-methyl-N,N-di(propan-2-yl)pent-3-en-2-amine (CID 175243353) is 3-fluoro-4-methyl-N,N-di(propan-2-yl)pent-3-en-2-amine.
What is the SMILES notation for 3-fluoro-4-methyl-N,N-di(propan-2-yl)pent-3-en-2-amine?
The canonical SMILES for 3-fluoro-4-methyl-N,N-di(propan-2-yl)pent-3-en-2-amine is CC(C)=C(F)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-3-en-2-amine?
The InChIKey is HMGMELOLIYZWOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24FN/c1-8(2)12(13)11(7)14(9(3)4)10(5)6/h9-11H,1-7H3.
What are the key properties of 3-fluoro-4-methyl-N,N-di(propan-2-yl)pent-3-en-2-amine?
3-fluoro-4-methyl-N,N-di(propan-2-yl)pent-3-en-2-amine has a molecular weight of 201.33 g/mol, XLogP of 3.76, 4 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-3-en-2-amine is sourced from PubChem (CID 175243353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).