trans-(1S,2S)-2-[(2-methylpropan-2-yl)oxy]cyclohexan-1-amine

C10H21NO — CID 28998143

IUPACtrans-(1S,2S)-2-[(2-methylpropan-2-yl)oxy]cyclohexan-1-amine
SMILESCC(C)(C)O[C@H]1CCCC[C@@H]1N
InChIInChI=1S/C10H21NO/c1-10(2,3)12-9-7-5-4-6-8(9)11/h8-9H,4-7,11H2,1-3H3/t8-,9-/m0/s1
InChIKeyVCNZTIZYJATTQE-IUCAKERBSA-N
MW171.28 g/mol
LogP2.07
Rot. Bonds1

About trans-(1S,2S)-2-[(2-methylpropan-2-yl)oxy]cyclohexan-1-amine

trans-(1S,2S)-2-[(2-methylpropan-2-yl)oxy]cyclohexan-1-amine (PubChem CID 28998143) has the molecular formula C10H21NO and a molecular weight of 171.28 g/mol. Its IUPAC name is trans-(1S,2S)-2-[(2-methylpropan-2-yl)oxy]cyclohexan-1-amine.

Molecular Properties

Compound Nametrans-(1S,2S)-2-[(2-methylpropan-2-yl)oxy]cyclohexan-1-amine
PubChem CID28998143
Molecular FormulaC10H21NO
Molecular Weight171.28 g/mol
Exact Mass171.16
IUPAC Nametrans-(1S,2S)-2-[(2-methylpropan-2-yl)oxy]cyclohexan-1-amine
SMILESCC(C)(C)O[C@H]1CCCC[C@@H]1N
InChIInChI=1S/C10H21NO/c1-10(2,3)12-9-7-5-4-6-8(9)11/h8-9H,4-7,11H2,1-3H3/t8-,9-/m0/s1
InChIKeyVCNZTIZYJATTQE-IUCAKERBSA-N
XLogP2.07
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.28
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze trans-(1S,2S)-2-[(2-methylpropan-2-yl)oxy]cyclohexan-1-amine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of trans-(1S,2S)-2-[(2-methylpropan-2-yl)oxy]cyclohexan-1-amine?
The IUPAC name of trans-(1S,2S)-2-[(2-methylpropan-2-yl)oxy]cyclohexan-1-amine (CID 28998143) is trans-(1S,2S)-2-[(2-methylpropan-2-yl)oxy]cyclohexan-1-amine.
What is the SMILES notation for trans-(1S,2S)-2-[(2-methylpropan-2-yl)oxy]cyclohexan-1-amine?
The canonical SMILES for trans-(1S,2S)-2-[(2-methylpropan-2-yl)oxy]cyclohexan-1-amine is CC(C)(C)O[C@H]1CCCC[C@@H]1N.
What is the InChIKey of trans-(1S,2S)-2-[(2-methylpropan-2-yl)oxy]cyclohexan-1-amine?
The InChIKey is VCNZTIZYJATTQE-IUCAKERBSA-N. The full InChI is InChI=1S/C10H21NO/c1-10(2,3)12-9-7-5-4-6-8(9)11/h8-9H,4-7,11H2,1-3H3/t8-,9-/m0/s1.
What are the key properties of trans-(1S,2S)-2-[(2-methylpropan-2-yl)oxy]cyclohexan-1-amine?
trans-(1S,2S)-2-[(2-methylpropan-2-yl)oxy]cyclohexan-1-amine has a molecular weight of 171.28 g/mol, XLogP of 2.07, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2S)-2-[(2-methylpropan-2-yl)oxy]cyclohexan-1-amine is sourced from PubChem (CID 28998143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).