2-(aminomethyl)-3-cycloheptyl-1,1,1-trifluoropropan-2-ol

C11H20F3NO — CID 115043071

IUPAC2-(aminomethyl)-3-cycloheptyl-1,1,1-trifluoropropan-2-ol
SMILESNCC(O)(CC1CCCCCC1)C(F)(F)F
InChIInChI=1S/C11H20F3NO/c12-11(13,14)10(16,8-15)7-9-5-3-1-2-4-6-9/h9,16H,1-8,15H2
InChIKeyXULBVCZGAYFMPD-UHFFFAOYSA-N
MW239.28 g/mol
LogP2.60
Rot. Bonds3

About 2-(aminomethyl)-3-cycloheptyl-1,1,1-trifluoropropan-2-ol

2-(aminomethyl)-3-cycloheptyl-1,1,1-trifluoropropan-2-ol (PubChem CID 115043071) has the molecular formula C11H20F3NO and a molecular weight of 239.28 g/mol. Its IUPAC name is 2-(aminomethyl)-3-cycloheptyl-1,1,1-trifluoropropan-2-ol.

Molecular Properties

Compound Name2-(aminomethyl)-3-cycloheptyl-1,1,1-trifluoropropan-2-ol
PubChem CID115043071
Molecular FormulaC11H20F3NO
Molecular Weight239.28 g/mol
Exact Mass239.15
IUPAC Name2-(aminomethyl)-3-cycloheptyl-1,1,1-trifluoropropan-2-ol
SMILESNCC(O)(CC1CCCCCC1)C(F)(F)F
InChIInChI=1S/C11H20F3NO/c12-11(13,14)10(16,8-15)7-9-5-3-1-2-4-6-9/h9,16H,1-8,15H2
InChIKeyXULBVCZGAYFMPD-UHFFFAOYSA-N
XLogP2.60
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-(aminomethyl)-3-cycloheptyl-1,1,1-trifluoropropan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(aminomethyl)-3-cyclopentyl-1,1,1-trifluoropropan-2-ol
CID 115027287
3-amino-2-cycloheptyl-1,1,1-trifluoropropan-2-ol
CID 115034947
3-amino-2-cyclohexyl-1,1,1-trifluoropropan-2-ol
CID 83916807
2-amino-1-cyclohexylpropan-2-ol
CID 57094409
3-cycloheptyl-2,2-difluoropropan-1-ol
CID 105446100
2-(aminomethyl)-2-(cyclohexylmethyl)-3-cyclopropylpropan-1-ol
CID 106506751
3-(cyclohexylmethyl)-3-hydroxy-4,4-dimethylpentanal
CID 87751411
2-(cyclohexylmethyl)-2,3,3,3-tetrafluoropropanoic acid
CID 115044604
2-(cyclohexylmethyl)-3-fluoro-2-methylpropan-1-amine
CID 84719094
2-(aminomethyl)-2-(cyclohexylmethyl)butanoic acid
CID 106487425
3-cyclopentyl-2-fluoro-2-phenylpropan-1-amine
CID 112566200
1-amino-2-[(3,3-difluorocyclohexyl)methyl]-3,3-dimethylbutan-2-ol
CID 114224520

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-3-cycloheptyl-1,1,1-trifluoropropan-2-ol?
The IUPAC name of 2-(aminomethyl)-3-cycloheptyl-1,1,1-trifluoropropan-2-ol (CID 115043071) is 2-(aminomethyl)-3-cycloheptyl-1,1,1-trifluoropropan-2-ol.
What is the SMILES notation for 2-(aminomethyl)-3-cycloheptyl-1,1,1-trifluoropropan-2-ol?
The canonical SMILES for 2-(aminomethyl)-3-cycloheptyl-1,1,1-trifluoropropan-2-ol is NCC(O)(CC1CCCCCC1)C(F)(F)F.
What is the InChIKey of 2-(aminomethyl)-3-cycloheptyl-1,1,1-trifluoropropan-2-ol?
The InChIKey is XULBVCZGAYFMPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F3NO/c12-11(13,14)10(16,8-15)7-9-5-3-1-2-4-6-9/h9,16H,1-8,15H2.
What are the key properties of 2-(aminomethyl)-3-cycloheptyl-1,1,1-trifluoropropan-2-ol?
2-(aminomethyl)-3-cycloheptyl-1,1,1-trifluoropropan-2-ol has a molecular weight of 239.28 g/mol, XLogP of 2.60, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-3-cycloheptyl-1,1,1-trifluoropropan-2-ol is sourced from PubChem (CID 115043071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).