(1R)-3-(2-methylpropoxy)-1-(propan-2-ylamino)propan-1-ol

C10H23NO2 — CID 167077567

IUPAC(1R)-3-(2-methylpropoxy)-1-(propan-2-ylamino)propan-1-ol
SMILESCC(C)COCC[C@@H](O)NC(C)C
InChIInChI=1S/C10H23NO2/c1-8(2)7-13-6-5-10(12)11-9(3)4/h8-12H,5-7H2,1-4H3/t10-/m1/s1
InChIKeyIEKCSOSRQIQNSW-SNVBAGLBSA-N
MW189.30 g/mol
LogP1.37
Rot. Bonds7

About (1R)-3-(2-methylpropoxy)-1-(propan-2-ylamino)propan-1-ol

(1R)-3-(2-methylpropoxy)-1-(propan-2-ylamino)propan-1-ol (PubChem CID 167077567) has the molecular formula C10H23NO2 and a molecular weight of 189.30 g/mol. Its IUPAC name is (1R)-3-(2-methylpropoxy)-1-(propan-2-ylamino)propan-1-ol.

Molecular Properties

Compound Name(1R)-3-(2-methylpropoxy)-1-(propan-2-ylamino)propan-1-ol
PubChem CID167077567
Molecular FormulaC10H23NO2
Molecular Weight189.30 g/mol
Exact Mass189.17
IUPAC Name(1R)-3-(2-methylpropoxy)-1-(propan-2-ylamino)propan-1-ol
SMILESCC(C)COCC[C@@H](O)NC(C)C
InChIInChI=1S/C10H23NO2/c1-8(2)7-13-6-5-10(12)11-9(3)4/h8-12H,5-7H2,1-4H3/t10-/m1/s1
InChIKeyIEKCSOSRQIQNSW-SNVBAGLBSA-N
XLogP1.37
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.30
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

3-methoxy-1-(propan-2-ylamino)propan-1-ol
CID 138550346
3-methyl-1-[2-(2-methylpropoxy)ethoxy]butane
CID 90326526
3-methyl-1-[3-(2-methylpropoxy)propoxy]butane
CID 171414218
3-methyl-2-[2-(2-methylpropoxy)ethyl]butan-1-ol
CID 106459451
3-(2-methylpropoxy)-2-(propan-2-ylamino)propan-1-ol
CID 15004701
2-methyl-1-[3-(2-methylpropoxy)propoxy]propane
CID 22020669
2-(2-methylpropoxy)ethyl 4-amino-2-hydroxybutanoate
CID 107837699
6-[2-(2-methylpropoxy)ethoxy]hexan-2-ol
CID 106448667
2-[2-[2-[2-[2-[2-(2-methylpropoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]propanedioic acid
CID 175405425
3-methyl-4-(3-methylbutoxy)butan-2-ol
CID 90701438
1-[2-(2-methylpropoxy)ethoxy]butan-2-ol
CID 106448685
2-(methylamino)-4-(2-methylpropoxy)butanamide
CID 63039671

Frequently Asked Questions

What is the IUPAC name of (1R)-3-(2-methylpropoxy)-1-(propan-2-ylamino)propan-1-ol?
The IUPAC name of (1R)-3-(2-methylpropoxy)-1-(propan-2-ylamino)propan-1-ol (CID 167077567) is (1R)-3-(2-methylpropoxy)-1-(propan-2-ylamino)propan-1-ol.
What is the SMILES notation for (1R)-3-(2-methylpropoxy)-1-(propan-2-ylamino)propan-1-ol?
The canonical SMILES for (1R)-3-(2-methylpropoxy)-1-(propan-2-ylamino)propan-1-ol is CC(C)COCC[C@@H](O)NC(C)C.
What is the InChIKey of (1R)-3-(2-methylpropoxy)-1-(propan-2-ylamino)propan-1-ol?
The InChIKey is IEKCSOSRQIQNSW-SNVBAGLBSA-N. The full InChI is InChI=1S/C10H23NO2/c1-8(2)7-13-6-5-10(12)11-9(3)4/h8-12H,5-7H2,1-4H3/t10-/m1/s1.
What are the key properties of (1R)-3-(2-methylpropoxy)-1-(propan-2-ylamino)propan-1-ol?
(1R)-3-(2-methylpropoxy)-1-(propan-2-ylamino)propan-1-ol has a molecular weight of 189.30 g/mol, XLogP of 1.37, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-3-(2-methylpropoxy)-1-(propan-2-ylamino)propan-1-ol is sourced from PubChem (CID 167077567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).