1-amino-6-[cyclopropyl(2,2,2-trifluoroethyl)amino]-2-methylhexan-2-ol

C12H23F3N2O — CID 64821572

IUPAC1-amino-6-[cyclopropyl(2,2,2-trifluoroethyl)amino]-2-methylhexan-2-ol
SMILESCC(O)(CN)CCCCN(CC(F)(F)F)C1CC1
InChIInChI=1S/C12H23F3N2O/c1-11(18,8-16)6-2-3-7-17(10-4-5-10)9-12(13,14)15/h10,18H,2-9,16H2,1H3
InChIKeyLIYZGJDTIMRPTE-UHFFFAOYSA-N
MW268.32 g/mol
LogP1.89
Rot. Bonds8

About 1-amino-6-[cyclopropyl(2,2,2-trifluoroethyl)amino]-2-methylhexan-2-ol

1-amino-6-[cyclopropyl(2,2,2-trifluoroethyl)amino]-2-methylhexan-2-ol (PubChem CID 64821572) has the molecular formula C12H23F3N2O and a molecular weight of 268.32 g/mol. Its IUPAC name is 1-amino-6-[cyclopropyl(2,2,2-trifluoroethyl)amino]-2-methylhexan-2-ol.

Molecular Properties

Compound Name1-amino-6-[cyclopropyl(2,2,2-trifluoroethyl)amino]-2-methylhexan-2-ol
PubChem CID64821572
Molecular FormulaC12H23F3N2O
Molecular Weight268.32 g/mol
Exact Mass268.18
IUPAC Name1-amino-6-[cyclopropyl(2,2,2-trifluoroethyl)amino]-2-methylhexan-2-ol
SMILESCC(O)(CN)CCCCN(CC(F)(F)F)C1CC1
InChIInChI=1S/C12H23F3N2O/c1-11(18,8-16)6-2-3-7-17(10-4-5-10)9-12(13,14)15/h10,18H,2-9,16H2,1H3
InChIKeyLIYZGJDTIMRPTE-UHFFFAOYSA-N
XLogP1.89
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 1-amino-6-[cyclopropyl(2,2,2-trifluoroethyl)amino]-2-methylhexan-2-ol?
The IUPAC name of 1-amino-6-[cyclopropyl(2,2,2-trifluoroethyl)amino]-2-methylhexan-2-ol (CID 64821572) is 1-amino-6-[cyclopropyl(2,2,2-trifluoroethyl)amino]-2-methylhexan-2-ol.
What is the SMILES notation for 1-amino-6-[cyclopropyl(2,2,2-trifluoroethyl)amino]-2-methylhexan-2-ol?
The canonical SMILES for 1-amino-6-[cyclopropyl(2,2,2-trifluoroethyl)amino]-2-methylhexan-2-ol is CC(O)(CN)CCCCN(CC(F)(F)F)C1CC1.
What is the InChIKey of 1-amino-6-[cyclopropyl(2,2,2-trifluoroethyl)amino]-2-methylhexan-2-ol?
The InChIKey is LIYZGJDTIMRPTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23F3N2O/c1-11(18,8-16)6-2-3-7-17(10-4-5-10)9-12(13,14)15/h10,18H,2-9,16H2,1H3.
What are the key properties of 1-amino-6-[cyclopropyl(2,2,2-trifluoroethyl)amino]-2-methylhexan-2-ol?
1-amino-6-[cyclopropyl(2,2,2-trifluoroethyl)amino]-2-methylhexan-2-ol has a molecular weight of 268.32 g/mol, XLogP of 1.89, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-6-[cyclopropyl(2,2,2-trifluoroethyl)amino]-2-methylhexan-2-ol is sourced from PubChem (CID 64821572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).