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

C12H23F3N2O — CID 64826690

IUPAC2-amino-6-[cyclopropyl(2,2,2-trifluoroethyl)amino]-2-methylhexan-1-ol
SMILESCC(N)(CO)CCCCN(CC(F)(F)F)C1CC1
InChIInChI=1S/C12H23F3N2O/c1-11(16,9-18)6-2-3-7-17(10-4-5-10)8-12(13,14)15/h10,18H,2-9,16H2,1H3
InChIKeyLFEHHJKYAYRWAE-UHFFFAOYSA-N
MW268.32 g/mol
LogP1.89
Rot. Bonds8

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

2-amino-6-[cyclopropyl(2,2,2-trifluoroethyl)amino]-2-methylhexan-1-ol (PubChem CID 64826690) has the molecular formula C12H23F3N2O and a molecular weight of 268.32 g/mol. Its IUPAC name is 2-amino-6-[cyclopropyl(2,2,2-trifluoroethyl)amino]-2-methylhexan-1-ol.

Molecular Properties

Compound Name2-amino-6-[cyclopropyl(2,2,2-trifluoroethyl)amino]-2-methylhexan-1-ol
PubChem CID64826690
Molecular FormulaC12H23F3N2O
Molecular Weight268.32 g/mol
Exact Mass268.18
IUPAC Name2-amino-6-[cyclopropyl(2,2,2-trifluoroethyl)amino]-2-methylhexan-1-ol
SMILESCC(N)(CO)CCCCN(CC(F)(F)F)C1CC1
InChIInChI=1S/C12H23F3N2O/c1-11(16,9-18)6-2-3-7-17(10-4-5-10)8-12(13,14)15/h10,18H,2-9,16H2,1H3
InChIKeyLFEHHJKYAYRWAE-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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Related Compounds

2-amino-6-[cyclopropyl(propyl)amino]-2-methylhexan-1-ol
CID 64796819
2-amino-5-[cyclopropyl(propyl)amino]-2-methylpentan-1-ol
CID 64797037
2-amino-3-[butyl(cyclopropyl)amino]-2-methylpropan-1-ol
CID 64826521
N'-cyclopropyl-N-methyl-N'-(2,2,2-trifluoroethyl)pentane-1,5-diamine
CID 62428428
2-amino-4-[cyclopropyl(2,2,2-trifluoroethyl)amino]-2-methylpentan-1-ol
CID 64827880
1-[cyclopropyl(2,2,2-trifluoroethyl)amino]-4,4-dimethylpentan-3-ol
CID 62624111
4-N-propyl-4-N-(2,2,2-trifluoroethyl)cyclohexane-1,4-diamine
CID 62807259
N'-cyclopropyl-N-(2-methoxyethyl)-N'-(2,2,2-trifluoroethyl)butane-1,4-diamine
CID 62568426
2-amino-6-[3-(diethylamino)propyl-ethylamino]-2-methylhexan-1-ol
CID 102998428
2-amino-6-cyclopentyloxy-2-methylhexan-1-ol
CID 64803652
N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 65178290
N'-cyclopropyl-N-(2-methylpropyl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
CID 62426642

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-[cyclopropyl(2,2,2-trifluoroethyl)amino]-2-methylhexan-1-ol?
The IUPAC name of 2-amino-6-[cyclopropyl(2,2,2-trifluoroethyl)amino]-2-methylhexan-1-ol (CID 64826690) is 2-amino-6-[cyclopropyl(2,2,2-trifluoroethyl)amino]-2-methylhexan-1-ol.
What is the SMILES notation for 2-amino-6-[cyclopropyl(2,2,2-trifluoroethyl)amino]-2-methylhexan-1-ol?
The canonical SMILES for 2-amino-6-[cyclopropyl(2,2,2-trifluoroethyl)amino]-2-methylhexan-1-ol is CC(N)(CO)CCCCN(CC(F)(F)F)C1CC1.
What is the InChIKey of 2-amino-6-[cyclopropyl(2,2,2-trifluoroethyl)amino]-2-methylhexan-1-ol?
The InChIKey is LFEHHJKYAYRWAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23F3N2O/c1-11(16,9-18)6-2-3-7-17(10-4-5-10)8-12(13,14)15/h10,18H,2-9,16H2,1H3.
What are the key properties of 2-amino-6-[cyclopropyl(2,2,2-trifluoroethyl)amino]-2-methylhexan-1-ol?
2-amino-6-[cyclopropyl(2,2,2-trifluoroethyl)amino]-2-methylhexan-1-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 2-amino-6-[cyclopropyl(2,2,2-trifluoroethyl)amino]-2-methylhexan-1-ol is sourced from PubChem (CID 64826690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).