(2S)-4-methoxy-N-[(2S)-1-methoxypropan-2-yl]-4-methylpentan-2-amine

C11H25NO2 — CID 29013994

IUPAC(2S)-4-methoxy-N-[(2S)-1-methoxypropan-2-yl]-4-methylpentan-2-amine
SMILESCOC[C@H](C)N[C@@H](C)CC(C)(C)OC
InChIInChI=1S/C11H25NO2/c1-9(7-11(3,4)14-6)12-10(2)8-13-5/h9-10,12H,7-8H2,1-6H3/t9-,10-/m0/s1
InChIKeyLYDOXDSEXQUUNH-UWVGGRQHSA-N
MW203.33 g/mol
LogP1.81
Rot. Bonds7

About (2S)-4-methoxy-N-[(2S)-1-methoxypropan-2-yl]-4-methylpentan-2-amine

(2S)-4-methoxy-N-[(2S)-1-methoxypropan-2-yl]-4-methylpentan-2-amine (PubChem CID 29013994) has the molecular formula C11H25NO2 and a molecular weight of 203.33 g/mol. Its IUPAC name is (2S)-4-methoxy-N-[(2S)-1-methoxypropan-2-yl]-4-methylpentan-2-amine.

Molecular Properties

Compound Name(2S)-4-methoxy-N-[(2S)-1-methoxypropan-2-yl]-4-methylpentan-2-amine
PubChem CID29013994
Molecular FormulaC11H25NO2
Molecular Weight203.33 g/mol
Exact Mass203.19
IUPAC Name(2S)-4-methoxy-N-[(2S)-1-methoxypropan-2-yl]-4-methylpentan-2-amine
SMILESCOC[C@H](C)N[C@@H](C)CC(C)(C)OC
InChIInChI=1S/C11H25NO2/c1-9(7-11(3,4)14-6)12-10(2)8-13-5/h9-10,12H,7-8H2,1-6H3/t9-,10-/m0/s1
InChIKeyLYDOXDSEXQUUNH-UWVGGRQHSA-N
XLogP1.81
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.33
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2S)-4-methoxy-N-[(2S)-1-methoxypropan-2-yl]-4-methylpentan-2-amine 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

4-methoxy-4-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pentan-2-amine
CID 55260683
N-[2-(2,2-difluoroethoxy)ethyl]-4-methoxy-4-methylpentan-2-amine
CID 103082694
1-methoxy-N,4-dimethylpentan-2-amine
CID 13140129
(2S)-1-methoxy-N,4-dimethylpentan-2-amine
CID 13140130
(2S)-1-ethoxy-N-ethyl-4-methylpentan-2-amine
CID 18649579
(2-Methoxyethyl)(4-methylpentan-2-yl)amine
CID 43190116
(1-Methoxypropan-2-yl)(4-methylpentan-2-yl)amine
CID 43191824
N-(2-ethoxyethyl)-4-methylpentan-2-amine
CID 43457182
(2R)-1-methoxy-N,4-dimethylpentan-2-amine
CID 59640405
(2S)-N-tert-butyl-4-methyl-1-[(2-methylpropan-2-yl)oxy]pentan-2-amine
CID 59906417
N-(2-methoxyethyl)-5-methylhexan-3-amine
CID 60076245
N-(1-methoxybutan-2-yl)-4-methylpentan-2-amine
CID 60076290

Frequently Asked Questions

What is the IUPAC name of (2S)-4-methoxy-N-[(2S)-1-methoxypropan-2-yl]-4-methylpentan-2-amine?
The IUPAC name of (2S)-4-methoxy-N-[(2S)-1-methoxypropan-2-yl]-4-methylpentan-2-amine (CID 29013994) is (2S)-4-methoxy-N-[(2S)-1-methoxypropan-2-yl]-4-methylpentan-2-amine.
What is the SMILES notation for (2S)-4-methoxy-N-[(2S)-1-methoxypropan-2-yl]-4-methylpentan-2-amine?
The canonical SMILES for (2S)-4-methoxy-N-[(2S)-1-methoxypropan-2-yl]-4-methylpentan-2-amine is COC[C@H](C)N[C@@H](C)CC(C)(C)OC.
What is the InChIKey of (2S)-4-methoxy-N-[(2S)-1-methoxypropan-2-yl]-4-methylpentan-2-amine?
The InChIKey is LYDOXDSEXQUUNH-UWVGGRQHSA-N. The full InChI is InChI=1S/C11H25NO2/c1-9(7-11(3,4)14-6)12-10(2)8-13-5/h9-10,12H,7-8H2,1-6H3/t9-,10-/m0/s1.
What are the key properties of (2S)-4-methoxy-N-[(2S)-1-methoxypropan-2-yl]-4-methylpentan-2-amine?
(2S)-4-methoxy-N-[(2S)-1-methoxypropan-2-yl]-4-methylpentan-2-amine has a molecular weight of 203.33 g/mol, XLogP of 1.81, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-methoxy-N-[(2S)-1-methoxypropan-2-yl]-4-methylpentan-2-amine is sourced from PubChem (CID 29013994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).