1-(1-aminobutan-2-yl)-4-(trifluoromethyl)azepan-4-ol

C11H21F3N2O — CID 112737664

IUPAC1-(1-aminobutan-2-yl)-4-(trifluoromethyl)azepan-4-ol
SMILESCCC(CN)N1CCCC(O)(C(F)(F)F)CC1
InChIInChI=1S/C11H21F3N2O/c1-2-9(8-15)16-6-3-4-10(17,5-7-16)11(12,13)14/h9,17H,2-8,15H2,1H3
InChIKeyLDMJWUBEGWRYRH-UHFFFAOYSA-N
MW254.30 g/mol
LogP1.50
Rot. Bonds3

About 1-(1-aminobutan-2-yl)-4-(trifluoromethyl)azepan-4-ol

1-(1-aminobutan-2-yl)-4-(trifluoromethyl)azepan-4-ol (PubChem CID 112737664) has the molecular formula C11H21F3N2O and a molecular weight of 254.30 g/mol. Its IUPAC name is 1-(1-aminobutan-2-yl)-4-(trifluoromethyl)azepan-4-ol.

Molecular Properties

Compound Name1-(1-aminobutan-2-yl)-4-(trifluoromethyl)azepan-4-ol
PubChem CID112737664
Molecular FormulaC11H21F3N2O
Molecular Weight254.30 g/mol
Exact Mass254.16
IUPAC Name1-(1-aminobutan-2-yl)-4-(trifluoromethyl)azepan-4-ol
SMILESCCC(CN)N1CCCC(O)(C(F)(F)F)CC1
InChIInChI=1S/C11H21F3N2O/c1-2-9(8-15)16-6-3-4-10(17,5-7-16)11(12,13)14/h9,17H,2-8,15H2,1H3
InChIKeyLDMJWUBEGWRYRH-UHFFFAOYSA-N
XLogP1.50
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.30
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-amino-3-(4-fluorophenyl)propan-2-yl]-4-(trifluoromethyl)piperidin-4-ol
CID 121304833
2-bromo-1-[4-hydroxy-4-(trifluoromethyl)azepan-1-yl]butan-1-one
CID 112737673
2-[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]butanamide
CID 136511709
1-(3-amino-1,1,1-trifluoropropan-2-yl)-4-methylazepan-4-ol
CID 107403813
(2R)-2-amino-1-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]butan-1-one
CID 112737765
(2R)-2-(4-methylpiperidin-1-yl)butan-1-amine
CID 30081942
1-ethyl-3-(trifluoromethyl)piperidin-3-ol
CID 89019254
2-[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]butanoic acid
CID 121203240
(2S)-2-[(3S)-3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]butanoic acid
CID 129429634
1-(trifluoromethyl)cyclopentan-1-ol
CID 23506080
N-ethyl-4-hydroxy-4-(trifluoromethyl)azepane-1-carboxamide
CID 112737624
1-(2-aminoethyl)-4-(trifluoromethyl)piperidin-4-ol
CID 121203305

Frequently Asked Questions

What is the IUPAC name of 1-(1-aminobutan-2-yl)-4-(trifluoromethyl)azepan-4-ol?
The IUPAC name of 1-(1-aminobutan-2-yl)-4-(trifluoromethyl)azepan-4-ol (CID 112737664) is 1-(1-aminobutan-2-yl)-4-(trifluoromethyl)azepan-4-ol.
What is the SMILES notation for 1-(1-aminobutan-2-yl)-4-(trifluoromethyl)azepan-4-ol?
The canonical SMILES for 1-(1-aminobutan-2-yl)-4-(trifluoromethyl)azepan-4-ol is CCC(CN)N1CCCC(O)(C(F)(F)F)CC1.
What is the InChIKey of 1-(1-aminobutan-2-yl)-4-(trifluoromethyl)azepan-4-ol?
The InChIKey is LDMJWUBEGWRYRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21F3N2O/c1-2-9(8-15)16-6-3-4-10(17,5-7-16)11(12,13)14/h9,17H,2-8,15H2,1H3.
What are the key properties of 1-(1-aminobutan-2-yl)-4-(trifluoromethyl)azepan-4-ol?
1-(1-aminobutan-2-yl)-4-(trifluoromethyl)azepan-4-ol has a molecular weight of 254.30 g/mol, XLogP of 1.50, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-aminobutan-2-yl)-4-(trifluoromethyl)azepan-4-ol is sourced from PubChem (CID 112737664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).