2-methyl-2-[[(2S)-2-prop-2-enoxypropyl]amino]propan-1-ol

C10H21NO2 — CID 15360225

IUPAC2-methyl-2-[[(2S)-2-prop-2-enoxypropyl]amino]propan-1-ol
SMILESC=CCO[C@@H](C)CNC(C)(C)CO
InChIInChI=1S/C10H21NO2/c1-5-6-13-9(2)7-11-10(3,4)8-12/h5,9,11-12H,1,6-8H2,2-4H3/t9-/m0/s1
InChIKeyNSNLCRQBXFJBSA-VIFPVBQESA-N
MW187.28 g/mol
LogP0.94
Rot. Bonds7

About 2-methyl-2-[[(2S)-2-prop-2-enoxypropyl]amino]propan-1-ol

2-methyl-2-[[(2S)-2-prop-2-enoxypropyl]amino]propan-1-ol (PubChem CID 15360225) has the molecular formula C10H21NO2 and a molecular weight of 187.28 g/mol. Its IUPAC name is 2-methyl-2-[[(2S)-2-prop-2-enoxypropyl]amino]propan-1-ol.

Molecular Properties

Compound Name2-methyl-2-[[(2S)-2-prop-2-enoxypropyl]amino]propan-1-ol
PubChem CID15360225
Molecular FormulaC10H21NO2
Molecular Weight187.28 g/mol
Exact Mass187.16
IUPAC Name2-methyl-2-[[(2S)-2-prop-2-enoxypropyl]amino]propan-1-ol
SMILESC=CCO[C@@H](C)CNC(C)(C)CO
InChIInChI=1S/C10H21NO2/c1-5-6-13-9(2)7-11-10(3,4)8-12/h5,9,11-12H,1,6-8H2,2-4H3/t9-/m0/s1
InChIKeyNSNLCRQBXFJBSA-VIFPVBQESA-N
XLogP0.94
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.28
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-methyl-2-[[(2S)-2-prop-2-enoxypropyl]amino]propan-1-ol with MolForge

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Related Compounds

2-Propanol, 1-((1,1-dimethylethyl)amino)-3-(2-propenyloxy)-
CID 3067042
2-methyl-N-(2-prop-2-enoxyethyl)propan-2-amine
CID 62442092
2-[(2-Methyl-3-prop-2-enoxypropyl)amino]ethanol
CID 90244806
N,N'-ditert-butyl-2-prop-2-enoxypropane-1,3-diamine
CID 134558566
3-(2-Prop-2-enoxyethylamino)propan-1-ol
CID 153618108
N-ethyl-2-prop-2-enoxypropan-1-amine
CID 62442088
2-prop-2-enoxy-N-propylpropan-1-amine
CID 62442089
N-propan-2-yl-2-prop-2-enoxypropan-1-amine
CID 62442264
2-methyl-N-(2-prop-2-enoxypropyl)propan-2-amine
CID 62442266
2-methyl-N-(2-prop-2-enoxypropyl)propan-1-amine
CID 62442267
N-tert-butyl-3-methyl-2-prop-2-enoxybutan-1-amine
CID 62442441
N-tert-butyl-2-prop-2-enoxybutan-1-amine
CID 62442451

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[[(2S)-2-prop-2-enoxypropyl]amino]propan-1-ol?
The IUPAC name of 2-methyl-2-[[(2S)-2-prop-2-enoxypropyl]amino]propan-1-ol (CID 15360225) is 2-methyl-2-[[(2S)-2-prop-2-enoxypropyl]amino]propan-1-ol.
What is the SMILES notation for 2-methyl-2-[[(2S)-2-prop-2-enoxypropyl]amino]propan-1-ol?
The canonical SMILES for 2-methyl-2-[[(2S)-2-prop-2-enoxypropyl]amino]propan-1-ol is C=CCO[C@@H](C)CNC(C)(C)CO.
What is the InChIKey of 2-methyl-2-[[(2S)-2-prop-2-enoxypropyl]amino]propan-1-ol?
The InChIKey is NSNLCRQBXFJBSA-VIFPVBQESA-N. The full InChI is InChI=1S/C10H21NO2/c1-5-6-13-9(2)7-11-10(3,4)8-12/h5,9,11-12H,1,6-8H2,2-4H3/t9-/m0/s1.
What are the key properties of 2-methyl-2-[[(2S)-2-prop-2-enoxypropyl]amino]propan-1-ol?
2-methyl-2-[[(2S)-2-prop-2-enoxypropyl]amino]propan-1-ol has a molecular weight of 187.28 g/mol, XLogP of 0.94, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[[(2S)-2-prop-2-enoxypropyl]amino]propan-1-ol is sourced from PubChem (CID 15360225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).