(2S)-4-methoxy-N-(2-methoxyethyl)-4-methylpentan-2-amine

C10H23NO2 — CID 29013892

IUPAC(2S)-4-methoxy-N-(2-methoxyethyl)-4-methylpentan-2-amine
SMILESCOCCN[C@@H](C)CC(C)(C)OC
InChIInChI=1S/C10H23NO2/c1-9(11-6-7-12-4)8-10(2,3)13-5/h9,11H,6-8H2,1-5H3/t9-/m0/s1
InChIKeySSSRGPWAOARHQD-VIFPVBQESA-N
MW189.30 g/mol
LogP1.43
Rot. Bonds7

About (2S)-4-methoxy-N-(2-methoxyethyl)-4-methylpentan-2-amine

(2S)-4-methoxy-N-(2-methoxyethyl)-4-methylpentan-2-amine (PubChem CID 29013892) has the molecular formula C10H23NO2 and a molecular weight of 189.30 g/mol. Its IUPAC name is (2S)-4-methoxy-N-(2-methoxyethyl)-4-methylpentan-2-amine.

Molecular Properties

Compound Name(2S)-4-methoxy-N-(2-methoxyethyl)-4-methylpentan-2-amine
PubChem CID29013892
Molecular FormulaC10H23NO2
Molecular Weight189.30 g/mol
Exact Mass189.17
IUPAC Name(2S)-4-methoxy-N-(2-methoxyethyl)-4-methylpentan-2-amine
SMILESCOCCN[C@@H](C)CC(C)(C)OC
InChIInChI=1S/C10H23NO2/c1-9(11-6-7-12-4)8-10(2,3)13-5/h9,11H,6-8H2,1-5H3/t9-/m0/s1
InChIKeySSSRGPWAOARHQD-VIFPVBQESA-N
XLogP1.43
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.30
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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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-(2-methoxyethyl)-4-methylpentan-2-amine?
The IUPAC name of (2S)-4-methoxy-N-(2-methoxyethyl)-4-methylpentan-2-amine (CID 29013892) is (2S)-4-methoxy-N-(2-methoxyethyl)-4-methylpentan-2-amine.
What is the SMILES notation for (2S)-4-methoxy-N-(2-methoxyethyl)-4-methylpentan-2-amine?
The canonical SMILES for (2S)-4-methoxy-N-(2-methoxyethyl)-4-methylpentan-2-amine is COCCN[C@@H](C)CC(C)(C)OC.
What is the InChIKey of (2S)-4-methoxy-N-(2-methoxyethyl)-4-methylpentan-2-amine?
The InChIKey is SSSRGPWAOARHQD-VIFPVBQESA-N. The full InChI is InChI=1S/C10H23NO2/c1-9(11-6-7-12-4)8-10(2,3)13-5/h9,11H,6-8H2,1-5H3/t9-/m0/s1.
What are the key properties of (2S)-4-methoxy-N-(2-methoxyethyl)-4-methylpentan-2-amine?
(2S)-4-methoxy-N-(2-methoxyethyl)-4-methylpentan-2-amine has a molecular weight of 189.30 g/mol, XLogP of 1.43, 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-(2-methoxyethyl)-4-methylpentan-2-amine is sourced from PubChem (CID 29013892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).