(E)-N-(1,1,1-trifluoropropan-2-yl)hept-4-en-1-amine

C10H18F3N — CID 155032205

IUPAC(E)-N-(1,1,1-trifluoropropan-2-yl)hept-4-en-1-amine
SMILESCC/C=C/CCCNC(C)C(F)(F)F
InChIInChI=1S/C10H18F3N/c1-3-4-5-6-7-8-14-9(2)10(11,12)13/h4-5,9,14H,3,6-8H2,1-2H3/b5-4+
InChIKeyBOABGECTRRUDKW-SNAWJCMRSA-N
MW209.25 g/mol
LogP3.27
Rot. Bonds6

About (E)-N-(1,1,1-trifluoropropan-2-yl)hept-4-en-1-amine

(E)-N-(1,1,1-trifluoropropan-2-yl)hept-4-en-1-amine (PubChem CID 155032205) has the molecular formula C10H18F3N and a molecular weight of 209.25 g/mol. Its IUPAC name is (E)-N-(1,1,1-trifluoropropan-2-yl)hept-4-en-1-amine.

Molecular Properties

Compound Name(E)-N-(1,1,1-trifluoropropan-2-yl)hept-4-en-1-amine
PubChem CID155032205
Molecular FormulaC10H18F3N
Molecular Weight209.25 g/mol
Exact Mass209.14
IUPAC Name(E)-N-(1,1,1-trifluoropropan-2-yl)hept-4-en-1-amine
SMILESCC/C=C/CCCNC(C)C(F)(F)F
InChIInChI=1S/C10H18F3N/c1-3-4-5-6-7-8-14-9(2)10(11,12)13/h4-5,9,14H,3,6-8H2,1-2H3/b5-4+
InChIKeyBOABGECTRRUDKW-SNAWJCMRSA-N
XLogP3.27
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 53.27
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 (E)-N-(1,1,1-trifluoropropan-2-yl)hept-4-en-1-amine?
The IUPAC name of (E)-N-(1,1,1-trifluoropropan-2-yl)hept-4-en-1-amine (CID 155032205) is (E)-N-(1,1,1-trifluoropropan-2-yl)hept-4-en-1-amine.
What is the SMILES notation for (E)-N-(1,1,1-trifluoropropan-2-yl)hept-4-en-1-amine?
The canonical SMILES for (E)-N-(1,1,1-trifluoropropan-2-yl)hept-4-en-1-amine is CC/C=C/CCCNC(C)C(F)(F)F.
What is the InChIKey of (E)-N-(1,1,1-trifluoropropan-2-yl)hept-4-en-1-amine?
The InChIKey is BOABGECTRRUDKW-SNAWJCMRSA-N. The full InChI is InChI=1S/C10H18F3N/c1-3-4-5-6-7-8-14-9(2)10(11,12)13/h4-5,9,14H,3,6-8H2,1-2H3/b5-4+.
What are the key properties of (E)-N-(1,1,1-trifluoropropan-2-yl)hept-4-en-1-amine?
(E)-N-(1,1,1-trifluoropropan-2-yl)hept-4-en-1-amine has a molecular weight of 209.25 g/mol, XLogP of 3.27, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(1,1,1-trifluoropropan-2-yl)hept-4-en-1-amine is sourced from PubChem (CID 155032205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).