(Z)-5,5-difluoro-4-methyl-N-(2-methylpropyl)pent-3-en-1-amine

C10H19F2N — CID 80605899

IUPAC(Z)-5,5-difluoro-4-methyl-N-(2-methylpropyl)pent-3-en-1-amine
SMILESC/C(=C/CCNCC(C)C)C(F)F
InChIInChI=1S/C10H19F2N/c1-8(2)7-13-6-4-5-9(3)10(11)12/h5,8,10,13H,4,6-7H2,1-3H3/b9-5-
InChIKeyHTEKFWDYVNHSNP-UITAMQMPSA-N
MW191.27 g/mol
LogP2.83
Rot. Bonds6

About (Z)-5,5-difluoro-4-methyl-N-(2-methylpropyl)pent-3-en-1-amine

(Z)-5,5-difluoro-4-methyl-N-(2-methylpropyl)pent-3-en-1-amine (PubChem CID 80605899) has the molecular formula C10H19F2N and a molecular weight of 191.27 g/mol. Its IUPAC name is (Z)-5,5-difluoro-4-methyl-N-(2-methylpropyl)pent-3-en-1-amine.

Molecular Properties

Compound Name(Z)-5,5-difluoro-4-methyl-N-(2-methylpropyl)pent-3-en-1-amine
PubChem CID80605899
Molecular FormulaC10H19F2N
Molecular Weight191.27 g/mol
Exact Mass191.15
IUPAC Name(Z)-5,5-difluoro-4-methyl-N-(2-methylpropyl)pent-3-en-1-amine
SMILESC/C(=C/CCNCC(C)C)C(F)F
InChIInChI=1S/C10H19F2N/c1-8(2)7-13-6-4-5-9(3)10(11)12/h5,8,10,13H,4,6-7H2,1-3H3/b9-5-
InChIKeyHTEKFWDYVNHSNP-UITAMQMPSA-N
XLogP2.83
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-5,5-difluoro-4-methyl-N-(2-methylpropyl)pent-3-en-1-amine?
The IUPAC name of (Z)-5,5-difluoro-4-methyl-N-(2-methylpropyl)pent-3-en-1-amine (CID 80605899) is (Z)-5,5-difluoro-4-methyl-N-(2-methylpropyl)pent-3-en-1-amine.
What is the SMILES notation for (Z)-5,5-difluoro-4-methyl-N-(2-methylpropyl)pent-3-en-1-amine?
The canonical SMILES for (Z)-5,5-difluoro-4-methyl-N-(2-methylpropyl)pent-3-en-1-amine is C/C(=C/CCNCC(C)C)C(F)F.
What is the InChIKey of (Z)-5,5-difluoro-4-methyl-N-(2-methylpropyl)pent-3-en-1-amine?
The InChIKey is HTEKFWDYVNHSNP-UITAMQMPSA-N. The full InChI is InChI=1S/C10H19F2N/c1-8(2)7-13-6-4-5-9(3)10(11)12/h5,8,10,13H,4,6-7H2,1-3H3/b9-5-.
What are the key properties of (Z)-5,5-difluoro-4-methyl-N-(2-methylpropyl)pent-3-en-1-amine?
(Z)-5,5-difluoro-4-methyl-N-(2-methylpropyl)pent-3-en-1-amine has a molecular weight of 191.27 g/mol, XLogP of 2.83, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-5,5-difluoro-4-methyl-N-(2-methylpropyl)pent-3-en-1-amine is sourced from PubChem (CID 80605899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).