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

C10H23NO2 — CID 12606685

IUPAC1-(2-methylpropoxy)-3-(propan-2-ylamino)propan-2-ol
SMILESCC(C)COCC(O)CNC(C)C
InChIInChI=1S/C10H23NO2/c1-8(2)6-13-7-10(12)5-11-9(3)4/h8-12H,5-7H2,1-4H3
InChIKeyACNORTVCTNRDEH-UHFFFAOYSA-N
MW189.30 g/mol
LogP1.02
Rot. Bonds7

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

1-(2-methylpropoxy)-3-(propan-2-ylamino)propan-2-ol (PubChem CID 12606685) has the molecular formula C10H23NO2 and a molecular weight of 189.30 g/mol. Its IUPAC name is 1-(2-methylpropoxy)-3-(propan-2-ylamino)propan-2-ol.

Molecular Properties

Compound Name1-(2-methylpropoxy)-3-(propan-2-ylamino)propan-2-ol
PubChem CID12606685
Molecular FormulaC10H23NO2
Molecular Weight189.30 g/mol
Exact Mass189.17
IUPAC Name1-(2-methylpropoxy)-3-(propan-2-ylamino)propan-2-ol
SMILESCC(C)COCC(O)CNC(C)C
InChIInChI=1S/C10H23NO2/c1-8(2)6-13-7-10(12)5-11-9(3)4/h8-12H,5-7H2,1-4H3
InChIKeyACNORTVCTNRDEH-UHFFFAOYSA-N
XLogP1.02
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 ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

CID 44274623
CID 44274623
CID 12606684
CID 12606684
CID 12606686
CID 12606686
CID 44274622
CID 44274622
CID 44371390
CID 44371390
CID 44459891
CID 44459891
CID 3067037
CID 3067037
CID 3067038
CID 3067038
CID 3067040
CID 3067040
CID 3067041
CID 3067041
CID 648844
CID 648844
CID 44371642
CID 44371642

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpropoxy)-3-(propan-2-ylamino)propan-2-ol?
The IUPAC name of 1-(2-methylpropoxy)-3-(propan-2-ylamino)propan-2-ol (CID 12606685) is 1-(2-methylpropoxy)-3-(propan-2-ylamino)propan-2-ol.
What is the SMILES notation for 1-(2-methylpropoxy)-3-(propan-2-ylamino)propan-2-ol?
The canonical SMILES for 1-(2-methylpropoxy)-3-(propan-2-ylamino)propan-2-ol is CC(C)COCC(O)CNC(C)C.
What is the InChIKey of 1-(2-methylpropoxy)-3-(propan-2-ylamino)propan-2-ol?
The InChIKey is ACNORTVCTNRDEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23NO2/c1-8(2)6-13-7-10(12)5-11-9(3)4/h8-12H,5-7H2,1-4H3.
What are the key properties of 1-(2-methylpropoxy)-3-(propan-2-ylamino)propan-2-ol?
1-(2-methylpropoxy)-3-(propan-2-ylamino)propan-2-ol has a molecular weight of 189.30 g/mol, XLogP of 1.02, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpropoxy)-3-(propan-2-ylamino)propan-2-ol is sourced from PubChem (CID 12606685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).