trans-(1R,2R)-N-methyl-2-propan-2-yloxycyclohexan-1-amine

C10H21NO — CID 94302793

IUPACtrans-(1R,2R)-N-methyl-2-propan-2-yloxycyclohexan-1-amine
SMILESCN[C@@H]1CCCC[C@H]1OC(C)C
InChIInChI=1S/C10H21NO/c1-8(2)12-10-7-5-4-6-9(10)11-3/h8-11H,4-7H2,1-3H3/t9-,10-/m1/s1
InChIKeyZSFUXOGVCXHENZ-NXEZZACHSA-N
MW171.28 g/mol
LogP1.94
Rot. Bonds3

About trans-(1R,2R)-N-methyl-2-propan-2-yloxycyclohexan-1-amine

trans-(1R,2R)-N-methyl-2-propan-2-yloxycyclohexan-1-amine (PubChem CID 94302793) has the molecular formula C10H21NO and a molecular weight of 171.28 g/mol. Its IUPAC name is trans-(1R,2R)-N-methyl-2-propan-2-yloxycyclohexan-1-amine.

Molecular Properties

Compound Nametrans-(1R,2R)-N-methyl-2-propan-2-yloxycyclohexan-1-amine
PubChem CID94302793
Molecular FormulaC10H21NO
Molecular Weight171.28 g/mol
Exact Mass171.16
IUPAC Nametrans-(1R,2R)-N-methyl-2-propan-2-yloxycyclohexan-1-amine
SMILESCN[C@@H]1CCCC[C@H]1OC(C)C
InChIInChI=1S/C10H21NO/c1-8(2)12-10-7-5-4-6-9(10)11-3/h8-11H,4-7H2,1-3H3/t9-,10-/m1/s1
InChIKeyZSFUXOGVCXHENZ-NXEZZACHSA-N
XLogP1.94
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.28
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze trans-(1R,2R)-N-methyl-2-propan-2-yloxycyclohexan-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-(1R,2R)-N-methyl-2-propan-2-yloxycyclohexan-1-amine?
The IUPAC name of trans-(1R,2R)-N-methyl-2-propan-2-yloxycyclohexan-1-amine (CID 94302793) is trans-(1R,2R)-N-methyl-2-propan-2-yloxycyclohexan-1-amine.
What is the SMILES notation for trans-(1R,2R)-N-methyl-2-propan-2-yloxycyclohexan-1-amine?
The canonical SMILES for trans-(1R,2R)-N-methyl-2-propan-2-yloxycyclohexan-1-amine is CN[C@@H]1CCCC[C@H]1OC(C)C.
What is the InChIKey of trans-(1R,2R)-N-methyl-2-propan-2-yloxycyclohexan-1-amine?
The InChIKey is ZSFUXOGVCXHENZ-NXEZZACHSA-N. The full InChI is InChI=1S/C10H21NO/c1-8(2)12-10-7-5-4-6-9(10)11-3/h8-11H,4-7H2,1-3H3/t9-,10-/m1/s1.
What are the key properties of trans-(1R,2R)-N-methyl-2-propan-2-yloxycyclohexan-1-amine?
trans-(1R,2R)-N-methyl-2-propan-2-yloxycyclohexan-1-amine has a molecular weight of 171.28 g/mol, XLogP of 1.94, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-N-methyl-2-propan-2-yloxycyclohexan-1-amine is sourced from PubChem (CID 94302793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).