2-cyclopropyl-3-methoxy-2-(propan-2-ylamino)propan-1-ol

C10H21NO2 — CID 64804918

IUPAC2-cyclopropyl-3-methoxy-2-(propan-2-ylamino)propan-1-ol
SMILESCOCC(CO)(NC(C)C)C1CC1
InChIInChI=1S/C10H21NO2/c1-8(2)11-10(6-12,7-13-3)9-4-5-9/h8-9,11-12H,4-7H2,1-3H3
InChIKeyKMFACMPSPKEOMX-UHFFFAOYSA-N
MW187.28 g/mol
LogP0.77
Rot. Bonds6

About 2-cyclopropyl-3-methoxy-2-(propan-2-ylamino)propan-1-ol

2-cyclopropyl-3-methoxy-2-(propan-2-ylamino)propan-1-ol (PubChem CID 64804918) has the molecular formula C10H21NO2 and a molecular weight of 187.28 g/mol. Its IUPAC name is 2-cyclopropyl-3-methoxy-2-(propan-2-ylamino)propan-1-ol.

Molecular Properties

Compound Name2-cyclopropyl-3-methoxy-2-(propan-2-ylamino)propan-1-ol
PubChem CID64804918
Molecular FormulaC10H21NO2
Molecular Weight187.28 g/mol
Exact Mass187.16
IUPAC Name2-cyclopropyl-3-methoxy-2-(propan-2-ylamino)propan-1-ol
SMILESCOCC(CO)(NC(C)C)C1CC1
InChIInChI=1S/C10H21NO2/c1-8(2)11-10(6-12,7-13-3)9-4-5-9/h8-9,11-12H,4-7H2,1-3H3
InChIKeyKMFACMPSPKEOMX-UHFFFAOYSA-N
XLogP0.77
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.28
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclopropyl-3-[2-(2-methylpropoxy)ethoxy]-2-(propan-2-ylamino)propan-1-ol
CID 106450690
2-cyclopropyl-3-(4-methylpentoxy)-2-(propan-2-ylamino)propan-1-ol
CID 64805041
2-cyclopropyl-3-(4,4-dimethylcyclohexyl)oxy-2-(propan-2-ylamino)propan-1-ol
CID 114342729
2-cyclopropyl-3-methylsulfanyl-2-(propan-2-ylamino)propan-1-ol
CID 64806021
2-cyclopropyl-3-(oxolan-3-ylmethoxy)-2-(propan-2-ylamino)propan-1-ol
CID 64809774
2-cyclopropyl-2-(propan-2-ylamino)-3-(2,3,6-trimethylphenoxy)propan-1-ol
CID 64808543
2-cyclopropyl-3-(2-methylpropylsulfanyl)-2-(propan-2-ylamino)propan-1-ol
CID 64819239
2-cyclopropyl-2-(propan-2-ylamino)-3-(3,4,5-trimethylpiperazin-1-yl)propan-1-ol
CID 114540865
2-cyclopropyl-3-morpholin-4-yl-2-(propan-2-ylamino)propan-1-ol
CID 64798204
2-cyclopropyl-3-(2-methylazepan-1-yl)-2-(propan-2-ylamino)propan-1-ol
CID 64791236
2-cyclopropyl-3-[methyl(2,2,2-trifluoroethyl)amino]-2-(propan-2-ylamino)propan-1-ol
CID 64826657
2-cyclopropyl-3-(1-methoxypropan-2-yloxy)-2-(methylamino)propan-1-ol
CID 64811394

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-3-methoxy-2-(propan-2-ylamino)propan-1-ol?
The IUPAC name of 2-cyclopropyl-3-methoxy-2-(propan-2-ylamino)propan-1-ol (CID 64804918) is 2-cyclopropyl-3-methoxy-2-(propan-2-ylamino)propan-1-ol.
What is the SMILES notation for 2-cyclopropyl-3-methoxy-2-(propan-2-ylamino)propan-1-ol?
The canonical SMILES for 2-cyclopropyl-3-methoxy-2-(propan-2-ylamino)propan-1-ol is COCC(CO)(NC(C)C)C1CC1.
What is the InChIKey of 2-cyclopropyl-3-methoxy-2-(propan-2-ylamino)propan-1-ol?
The InChIKey is KMFACMPSPKEOMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO2/c1-8(2)11-10(6-12,7-13-3)9-4-5-9/h8-9,11-12H,4-7H2,1-3H3.
What are the key properties of 2-cyclopropyl-3-methoxy-2-(propan-2-ylamino)propan-1-ol?
2-cyclopropyl-3-methoxy-2-(propan-2-ylamino)propan-1-ol has a molecular weight of 187.28 g/mol, XLogP of 0.77, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-3-methoxy-2-(propan-2-ylamino)propan-1-ol is sourced from PubChem (CID 64804918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).