3-fluoro-4-methyl-2-propan-2-ylpent-4-en-1-amine

C9H18FN — CID 107443667

IUPAC3-fluoro-4-methyl-2-propan-2-ylpent-4-en-1-amine
SMILESC=C(C)C(F)C(CN)C(C)C
InChIInChI=1S/C9H18FN/c1-6(2)8(5-11)9(10)7(3)4/h6,8-9H,3,5,11H2,1-2,4H3
InChIKeyZHEZILUFCFBFTA-UHFFFAOYSA-N
MW159.25 g/mol
LogP2.13
Rot. Bonds4

About 3-fluoro-4-methyl-2-propan-2-ylpent-4-en-1-amine

3-fluoro-4-methyl-2-propan-2-ylpent-4-en-1-amine (PubChem CID 107443667) has the molecular formula C9H18FN and a molecular weight of 159.25 g/mol. Its IUPAC name is 3-fluoro-4-methyl-2-propan-2-ylpent-4-en-1-amine.

Molecular Properties

Compound Name3-fluoro-4-methyl-2-propan-2-ylpent-4-en-1-amine
PubChem CID107443667
Molecular FormulaC9H18FN
Molecular Weight159.25 g/mol
Exact Mass159.14
IUPAC Name3-fluoro-4-methyl-2-propan-2-ylpent-4-en-1-amine
SMILESC=C(C)C(F)C(CN)C(C)C
InChIInChI=1S/C9H18FN/c1-6(2)8(5-11)9(10)7(3)4/h6,8-9H,3,5,11H2,1-2,4H3
InChIKeyZHEZILUFCFBFTA-UHFFFAOYSA-N
XLogP2.13
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.25
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-methyl-2-propan-2-ylpent-4-en-1-amine?
The IUPAC name of 3-fluoro-4-methyl-2-propan-2-ylpent-4-en-1-amine (CID 107443667) is 3-fluoro-4-methyl-2-propan-2-ylpent-4-en-1-amine.
What is the SMILES notation for 3-fluoro-4-methyl-2-propan-2-ylpent-4-en-1-amine?
The canonical SMILES for 3-fluoro-4-methyl-2-propan-2-ylpent-4-en-1-amine is C=C(C)C(F)C(CN)C(C)C.
What is the InChIKey of 3-fluoro-4-methyl-2-propan-2-ylpent-4-en-1-amine?
The InChIKey is ZHEZILUFCFBFTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18FN/c1-6(2)8(5-11)9(10)7(3)4/h6,8-9H,3,5,11H2,1-2,4H3.
What are the key properties of 3-fluoro-4-methyl-2-propan-2-ylpent-4-en-1-amine?
3-fluoro-4-methyl-2-propan-2-ylpent-4-en-1-amine has a molecular weight of 159.25 g/mol, XLogP of 2.13, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-methyl-2-propan-2-ylpent-4-en-1-amine is sourced from PubChem (CID 107443667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).