(Z)-4-methyl-N-propan-2-yl-N-(trifluoromethyl)pent-2-en-2-amine

C10H18F3N — CID 170029999

IUPAC(Z)-4-methyl-N-propan-2-yl-N-(trifluoromethyl)pent-2-en-2-amine
SMILESC/C(=C/C(C)C)N(C(C)C)C(F)(F)F
InChIInChI=1S/C10H18F3N/c1-7(2)6-9(5)14(8(3)4)10(11,12)13/h6-8H,1-5H3/b9-6-
InChIKeyZAWFAFMLZUGQAU-TWGQIWQCSA-N
MW209.25 g/mol
LogP3.78
Rot. Bonds3

About (Z)-4-methyl-N-propan-2-yl-N-(trifluoromethyl)pent-2-en-2-amine

(Z)-4-methyl-N-propan-2-yl-N-(trifluoromethyl)pent-2-en-2-amine (PubChem CID 170029999) has the molecular formula C10H18F3N and a molecular weight of 209.25 g/mol. Its IUPAC name is (Z)-4-methyl-N-propan-2-yl-N-(trifluoromethyl)pent-2-en-2-amine.

Molecular Properties

Compound Name(Z)-4-methyl-N-propan-2-yl-N-(trifluoromethyl)pent-2-en-2-amine
PubChem CID170029999
Molecular FormulaC10H18F3N
Molecular Weight209.25 g/mol
Exact Mass209.14
IUPAC Name(Z)-4-methyl-N-propan-2-yl-N-(trifluoromethyl)pent-2-en-2-amine
SMILESC/C(=C/C(C)C)N(C(C)C)C(F)(F)F
InChIInChI=1S/C10H18F3N/c1-7(2)6-9(5)14(8(3)4)10(11,12)13/h6-8H,1-5H3/b9-6-
InChIKeyZAWFAFMLZUGQAU-TWGQIWQCSA-N
XLogP3.78
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-4-methyl-N-propan-2-yl-N-(trifluoromethyl)pent-2-en-2-amine?
The IUPAC name of (Z)-4-methyl-N-propan-2-yl-N-(trifluoromethyl)pent-2-en-2-amine (CID 170029999) is (Z)-4-methyl-N-propan-2-yl-N-(trifluoromethyl)pent-2-en-2-amine.
What is the SMILES notation for (Z)-4-methyl-N-propan-2-yl-N-(trifluoromethyl)pent-2-en-2-amine?
The canonical SMILES for (Z)-4-methyl-N-propan-2-yl-N-(trifluoromethyl)pent-2-en-2-amine is C/C(=C/C(C)C)N(C(C)C)C(F)(F)F.
What is the InChIKey of (Z)-4-methyl-N-propan-2-yl-N-(trifluoromethyl)pent-2-en-2-amine?
The InChIKey is ZAWFAFMLZUGQAU-TWGQIWQCSA-N. The full InChI is InChI=1S/C10H18F3N/c1-7(2)6-9(5)14(8(3)4)10(11,12)13/h6-8H,1-5H3/b9-6-.
What are the key properties of (Z)-4-methyl-N-propan-2-yl-N-(trifluoromethyl)pent-2-en-2-amine?
(Z)-4-methyl-N-propan-2-yl-N-(trifluoromethyl)pent-2-en-2-amine has a molecular weight of 209.25 g/mol, XLogP of 3.78, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-methyl-N-propan-2-yl-N-(trifluoromethyl)pent-2-en-2-amine is sourced from PubChem (CID 170029999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).