(2S)-1-methoxy-N-methyl-N-prop-2-enylpropan-2-amine

C8H17NO — CID 171624070

IUPAC(2S)-1-methoxy-N-methyl-N-prop-2-enylpropan-2-amine
SMILESC=CCN(C)[C@@H](C)COC
InChIInChI=1S/C8H17NO/c1-5-6-9(3)8(2)7-10-4/h5,8H,1,6-7H2,2-4H3/t8-/m0/s1
InChIKeyPBMISNNVTIQLGR-QMMMGPOBSA-N
MW143.23 g/mol
LogP1.14
Rot. Bonds5

About (2S)-1-methoxy-N-methyl-N-prop-2-enylpropan-2-amine

(2S)-1-methoxy-N-methyl-N-prop-2-enylpropan-2-amine (PubChem CID 171624070) has the molecular formula C8H17NO and a molecular weight of 143.23 g/mol. Its IUPAC name is (2S)-1-methoxy-N-methyl-N-prop-2-enylpropan-2-amine.

Molecular Properties

Compound Name(2S)-1-methoxy-N-methyl-N-prop-2-enylpropan-2-amine
PubChem CID171624070
Molecular FormulaC8H17NO
Molecular Weight143.23 g/mol
Exact Mass143.13
IUPAC Name(2S)-1-methoxy-N-methyl-N-prop-2-enylpropan-2-amine
SMILESC=CCN(C)[C@@H](C)COC
InChIInChI=1S/C8H17NO/c1-5-6-9(3)8(2)7-10-4/h5,8H,1,6-7H2,2-4H3/t8-/m0/s1
InChIKeyPBMISNNVTIQLGR-QMMMGPOBSA-N
XLogP1.14
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.23
LogP ≤ 51.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-1-methoxy-N-methylpropan-2-amine
CID 142890650
(2S)-1-[1-methoxypropan-2-yl(methyl)amino]propan-2-ol
CID 103935012
1-N-(1-methoxypropan-2-yl)-1-N-methylpropane-1,2-diamine
CID 61453428
N'-(1-methoxypropan-2-yl)-N'-methylethane-1,2-diamine
CID 61453398
1-methoxy-N-methyl-N-[(2-methylpropan-2-yl)oxymethyl]propan-2-amine
CID 123868125
3-methoxy-2-N,2-N-bis(prop-2-enyl)propane-1,2-diamine
CID 103225187
1-[methyl(prop-2-enyl)amino]propan-1-ol;hydrochloride
CID 173390192
N-methyl-N-prop-2-enylhenicosan-11-amine
CID 174654754
potassium trifluoro-[3-[1-methoxypropan-2-yl(methyl)amino]prop-1-en-2-yl]boranuide
CID 106745789
N-(1-methoxypropan-2-yl)-N,2,2-trimethyl-N'-propan-2-ylpropane-1,3-diamine
CID 62257806
N-(1-methoxypropan-2-yl)-N,N',2-trimethylpropane-1,3-diamine
CID 62429833
N-(1-methoxypropan-2-yl)-N-methyl-2-methylidene-N'-propan-2-ylpropane-1,3-diamine
CID 103069854

Frequently Asked Questions

What is the IUPAC name of (2S)-1-methoxy-N-methyl-N-prop-2-enylpropan-2-amine?
The IUPAC name of (2S)-1-methoxy-N-methyl-N-prop-2-enylpropan-2-amine (CID 171624070) is (2S)-1-methoxy-N-methyl-N-prop-2-enylpropan-2-amine.
What is the SMILES notation for (2S)-1-methoxy-N-methyl-N-prop-2-enylpropan-2-amine?
The canonical SMILES for (2S)-1-methoxy-N-methyl-N-prop-2-enylpropan-2-amine is C=CCN(C)[C@@H](C)COC.
What is the InChIKey of (2S)-1-methoxy-N-methyl-N-prop-2-enylpropan-2-amine?
The InChIKey is PBMISNNVTIQLGR-QMMMGPOBSA-N. The full InChI is InChI=1S/C8H17NO/c1-5-6-9(3)8(2)7-10-4/h5,8H,1,6-7H2,2-4H3/t8-/m0/s1.
What are the key properties of (2S)-1-methoxy-N-methyl-N-prop-2-enylpropan-2-amine?
(2S)-1-methoxy-N-methyl-N-prop-2-enylpropan-2-amine has a molecular weight of 143.23 g/mol, XLogP of 1.14, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-methoxy-N-methyl-N-prop-2-enylpropan-2-amine is sourced from PubChem (CID 171624070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).