1,1-difluoro-4-methyl-N-propylpent-3-en-2-amine

C9H17F2N — CID 103516829

IUPAC1,1-difluoro-4-methyl-N-propylpent-3-en-2-amine
SMILESCCCNC(C=C(C)C)C(F)F
InChIInChI=1S/C9H17F2N/c1-4-5-12-8(9(10)11)6-7(2)3/h6,8-9,12H,4-5H2,1-3H3
InChIKeyRYFCWZGSYDHUOY-UHFFFAOYSA-N
MW177.24 g/mol
LogP2.59
Rot. Bonds5

About 1,1-difluoro-4-methyl-N-propylpent-3-en-2-amine

1,1-difluoro-4-methyl-N-propylpent-3-en-2-amine (PubChem CID 103516829) has the molecular formula C9H17F2N and a molecular weight of 177.24 g/mol. Its IUPAC name is 1,1-difluoro-4-methyl-N-propylpent-3-en-2-amine.

Molecular Properties

Compound Name1,1-difluoro-4-methyl-N-propylpent-3-en-2-amine
PubChem CID103516829
Molecular FormulaC9H17F2N
Molecular Weight177.24 g/mol
Exact Mass177.13
IUPAC Name1,1-difluoro-4-methyl-N-propylpent-3-en-2-amine
SMILESCCCNC(C=C(C)C)C(F)F
InChIInChI=1S/C9H17F2N/c1-4-5-12-8(9(10)11)6-7(2)3/h6,8-9,12H,4-5H2,1-3H3
InChIKeyRYFCWZGSYDHUOY-UHFFFAOYSA-N
XLogP2.59
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.24
LogP ≤ 52.59
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 1,1-difluoro-4-methyl-N-propylpent-3-en-2-amine?
The IUPAC name of 1,1-difluoro-4-methyl-N-propylpent-3-en-2-amine (CID 103516829) is 1,1-difluoro-4-methyl-N-propylpent-3-en-2-amine.
What is the SMILES notation for 1,1-difluoro-4-methyl-N-propylpent-3-en-2-amine?
The canonical SMILES for 1,1-difluoro-4-methyl-N-propylpent-3-en-2-amine is CCCNC(C=C(C)C)C(F)F.
What is the InChIKey of 1,1-difluoro-4-methyl-N-propylpent-3-en-2-amine?
The InChIKey is RYFCWZGSYDHUOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F2N/c1-4-5-12-8(9(10)11)6-7(2)3/h6,8-9,12H,4-5H2,1-3H3.
What are the key properties of 1,1-difluoro-4-methyl-N-propylpent-3-en-2-amine?
1,1-difluoro-4-methyl-N-propylpent-3-en-2-amine has a molecular weight of 177.24 g/mol, XLogP of 2.59, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-difluoro-4-methyl-N-propylpent-3-en-2-amine is sourced from PubChem (CID 103516829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).