NYGPEWYIGFPXMS-UHFFFAOYSA-N

C₁₄H₂₇F₃N₂ — CID 148716761

About NYGPEWYIGFPXMS-UHFFFAOYSA-N

NYGPEWYIGFPXMS-UHFFFAOYSA-N (PubChem CID 148716761) has the molecular formula C₁₄H₂₇F₃N₂ and a molecular weight of 280.38 g/mol. Its IUPAC name is 4-N,2-dimethyl-2-N-propan-2-yl-5-(trifluoromethyl)oct-7-ene-2,4-diamine.

Molecular Properties

• Compound Name: NYGPEWYIGFPXMS-UHFFFAOYSA-N
• PubChem CID: 148716761
• Molecular Formula: C₁₄H₂₇F₃N₂
• Molecular Weight: 280.38 g/mol
• Exact Mass: 280.21
• IUPAC Name: 4-N,2-dimethyl-2-N-propan-2-yl-5-(trifluoromethyl)oct-7-ene-2,4-diamine
• SMILES: C=CCC(C(CC(C)(C)NC(C)C)NC)C(F)(F)F
• InChI: InChI=1S/C14H27F3N2/c1-7-8-11(14(15,16)17)12(18-6)9-13(4,5)19-10(2)3/h7,10-12,18-19H,1,8-9H2,2-6H3
• InChIKey: NYGPEWYIGFPXMS-UHFFFAOYSA-N
• XLogP: 3.50
• TPSA: 24.06 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 2
• Rotatable Bonds: 8
• Heavy Atoms: 19
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	280.38
LogP ≤ 5	3.50
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of NYGPEWYIGFPXMS-UHFFFAOYSA-N?

The IUPAC name of NYGPEWYIGFPXMS-UHFFFAOYSA-N (CID 148716761) is 4-N,2-dimethyl-2-N-propan-2-yl-5-(trifluoromethyl)oct-7-ene-2,4-diamine.

What is the SMILES notation for NYGPEWYIGFPXMS-UHFFFAOYSA-N?

The canonical SMILES for NYGPEWYIGFPXMS-UHFFFAOYSA-N is C=CCC(C(CC(C)(C)NC(C)C)NC)C(F)(F)F.

What is the InChIKey of NYGPEWYIGFPXMS-UHFFFAOYSA-N?

The InChIKey is NYGPEWYIGFPXMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27F3N2/c1-7-8-11(14(15,16)17)12(18-6)9-13(4,5)19-10(2)3/h7,10-12,18-19H,1,8-9H2,2-6H3.

What are the key properties of NYGPEWYIGFPXMS-UHFFFAOYSA-N?

NYGPEWYIGFPXMS-UHFFFAOYSA-N has a molecular weight of 280.38 g/mol, XLogP of 3.50, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for NYGPEWYIGFPXMS-UHFFFAOYSA-N is sourced from PubChem (CID 148716761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 148716761 — identifiers, structure, computed properties (public domain)

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