(2S)-2-(methoxymethyl)-N,N,2-trimethylbutan-1-amine

C9H21NO — CID 176715284

IUPAC(2S)-2-(methoxymethyl)-N,N,2-trimethylbutan-1-amine
SMILESCC[C@](C)(COC)CN(C)C
InChIInChI=1S/C9H21NO/c1-6-9(2,8-11-5)7-10(3)4/h6-8H2,1-5H3/t9-/m0/s1
InChIKeyZGNWQMQCUUZOLW-VIFPVBQESA-N
MW159.27 g/mol
LogP1.61
Rot. Bonds5

About (2S)-2-(methoxymethyl)-N,N,2-trimethylbutan-1-amine

(2S)-2-(methoxymethyl)-N,N,2-trimethylbutan-1-amine (PubChem CID 176715284) has the molecular formula C9H21NO and a molecular weight of 159.27 g/mol. Its IUPAC name is (2S)-2-(methoxymethyl)-N,N,2-trimethylbutan-1-amine.

Molecular Properties

Compound Name(2S)-2-(methoxymethyl)-N,N,2-trimethylbutan-1-amine
PubChem CID176715284
Molecular FormulaC9H21NO
Molecular Weight159.27 g/mol
Exact Mass159.16
IUPAC Name(2S)-2-(methoxymethyl)-N,N,2-trimethylbutan-1-amine
SMILESCC[C@](C)(COC)CN(C)C
InChIInChI=1S/C9H21NO/c1-6-9(2,8-11-5)7-10(3)4/h6-8H2,1-5H3/t9-/m0/s1
InChIKeyZGNWQMQCUUZOLW-VIFPVBQESA-N
XLogP1.61
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.27
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-fluoro-2-(methoxymethyl)-N,N-dimethylbutan-1-amine
CID 156843552
3-methoxy-N,N,2,2-tetramethylpropan-1-amine
CID 345949
4-methoxy-N,N,2,3,3-pentamethylbutan-2-amine
CID 21041470
2-(Methoxymethyl)butyl-trimethylazanium
CID 59940216
2-[(Dimethylamino)methyl]-2-methylbutan-1-ol
CID 62270560
N,N-dimethyl-1-(3-methyloxolan-3-yl)methanamine
CID 68556461
2-(Methoxymethyl)-N,N,3-trimethyl-2-(propan-2-yl)butan-1-amine
CID 71350379
N-(3-methoxybutyl)-N,3,3-trimethylbutan-1-amine
CID 88978386
N-tert-butyl-N-(3-methoxypropyl)-3,3-dimethylbutan-1-amine
CID 89842289
4-methoxy-N,N,3-trimethylbutan-1-amine
CID 89848357
3-ethoxy-N,N,2,2-tetramethylpropan-1-amine
CID 90227656
N-ethyl-N-methyl-2-(3-methyloxetan-3-yl)ethanamine
CID 90352607

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(methoxymethyl)-N,N,2-trimethylbutan-1-amine?
The IUPAC name of (2S)-2-(methoxymethyl)-N,N,2-trimethylbutan-1-amine (CID 176715284) is (2S)-2-(methoxymethyl)-N,N,2-trimethylbutan-1-amine.
What is the SMILES notation for (2S)-2-(methoxymethyl)-N,N,2-trimethylbutan-1-amine?
The canonical SMILES for (2S)-2-(methoxymethyl)-N,N,2-trimethylbutan-1-amine is CC[C@](C)(COC)CN(C)C.
What is the InChIKey of (2S)-2-(methoxymethyl)-N,N,2-trimethylbutan-1-amine?
The InChIKey is ZGNWQMQCUUZOLW-VIFPVBQESA-N. The full InChI is InChI=1S/C9H21NO/c1-6-9(2,8-11-5)7-10(3)4/h6-8H2,1-5H3/t9-/m0/s1.
What are the key properties of (2S)-2-(methoxymethyl)-N,N,2-trimethylbutan-1-amine?
(2S)-2-(methoxymethyl)-N,N,2-trimethylbutan-1-amine has a molecular weight of 159.27 g/mol, XLogP of 1.61, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(methoxymethyl)-N,N,2-trimethylbutan-1-amine is sourced from PubChem (CID 176715284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).