2-methyl-N-[3-[3-(trifluoromethyl)piperidin-1-yl]propyl]propan-2-amine

C13H25F3N2 — CID 62568746

IUPAC2-methyl-N-[3-[3-(trifluoromethyl)piperidin-1-yl]propyl]propan-2-amine
SMILESCC(C)(C)NCCCN1CCCC(C(F)(F)F)C1
InChIInChI=1S/C13H25F3N2/c1-12(2,3)17-7-5-9-18-8-4-6-11(10-18)13(14,15)16/h11,17H,4-10H2,1-3H3
InChIKeyITVXNXLAWANIKE-UHFFFAOYSA-N
MW266.35 g/mol
LogP3.04
Rot. Bonds4

About 2-methyl-N-[3-[3-(trifluoromethyl)piperidin-1-yl]propyl]propan-2-amine

2-methyl-N-[3-[3-(trifluoromethyl)piperidin-1-yl]propyl]propan-2-amine (PubChem CID 62568746) has the molecular formula C13H25F3N2 and a molecular weight of 266.35 g/mol. Its IUPAC name is 2-methyl-N-[3-[3-(trifluoromethyl)piperidin-1-yl]propyl]propan-2-amine.

Molecular Properties

Compound Name2-methyl-N-[3-[3-(trifluoromethyl)piperidin-1-yl]propyl]propan-2-amine
PubChem CID62568746
Molecular FormulaC13H25F3N2
Molecular Weight266.35 g/mol
Exact Mass266.20
IUPAC Name2-methyl-N-[3-[3-(trifluoromethyl)piperidin-1-yl]propyl]propan-2-amine
SMILESCC(C)(C)NCCCN1CCCC(C(F)(F)F)C1
InChIInChI=1S/C13H25F3N2/c1-12(2,3)17-7-5-9-18-8-4-6-11(10-18)13(14,15)16/h11,17H,4-10H2,1-3H3
InChIKeyITVXNXLAWANIKE-UHFFFAOYSA-N
XLogP3.04
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.35
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[3-[3-(trifluoromethyl)piperidin-1-yl]propyl]propan-2-amine?
The IUPAC name of 2-methyl-N-[3-[3-(trifluoromethyl)piperidin-1-yl]propyl]propan-2-amine (CID 62568746) is 2-methyl-N-[3-[3-(trifluoromethyl)piperidin-1-yl]propyl]propan-2-amine.
What is the SMILES notation for 2-methyl-N-[3-[3-(trifluoromethyl)piperidin-1-yl]propyl]propan-2-amine?
The canonical SMILES for 2-methyl-N-[3-[3-(trifluoromethyl)piperidin-1-yl]propyl]propan-2-amine is CC(C)(C)NCCCN1CCCC(C(F)(F)F)C1.
What is the InChIKey of 2-methyl-N-[3-[3-(trifluoromethyl)piperidin-1-yl]propyl]propan-2-amine?
The InChIKey is ITVXNXLAWANIKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25F3N2/c1-12(2,3)17-7-5-9-18-8-4-6-11(10-18)13(14,15)16/h11,17H,4-10H2,1-3H3.
What are the key properties of 2-methyl-N-[3-[3-(trifluoromethyl)piperidin-1-yl]propyl]propan-2-amine?
2-methyl-N-[3-[3-(trifluoromethyl)piperidin-1-yl]propyl]propan-2-amine has a molecular weight of 266.35 g/mol, XLogP of 3.04, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[3-[3-(trifluoromethyl)piperidin-1-yl]propyl]propan-2-amine is sourced from PubChem (CID 62568746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).