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

C12H25NO2 — CID 106206822

IUPAC3-(2-cyclobutylethoxy)-2-(propan-2-ylamino)propan-1-ol
SMILESCC(C)NC(CO)COCCC1CCC1
InChIInChI=1S/C12H25NO2/c1-10(2)13-12(8-14)9-15-7-6-11-4-3-5-11/h10-14H,3-9H2,1-2H3
InChIKeyRXBRTZLPNUMJPV-UHFFFAOYSA-N
MW215.34 g/mol
LogP1.55
Rot. Bonds8

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

3-(2-cyclobutylethoxy)-2-(propan-2-ylamino)propan-1-ol (PubChem CID 106206822) has the molecular formula C12H25NO2 and a molecular weight of 215.34 g/mol. Its IUPAC name is 3-(2-cyclobutylethoxy)-2-(propan-2-ylamino)propan-1-ol.

Molecular Properties

Compound Name3-(2-cyclobutylethoxy)-2-(propan-2-ylamino)propan-1-ol
PubChem CID106206822
Molecular FormulaC12H25NO2
Molecular Weight215.34 g/mol
Exact Mass215.19
IUPAC Name3-(2-cyclobutylethoxy)-2-(propan-2-ylamino)propan-1-ol
SMILESCC(C)NC(CO)COCCC1CCC1
InChIInChI=1S/C12H25NO2/c1-10(2)13-12(8-14)9-15-7-6-11-4-3-5-11/h10-14H,3-9H2,1-2H3
InChIKeyRXBRTZLPNUMJPV-UHFFFAOYSA-N
XLogP1.55
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(cyclopentylmethoxy)-2-(propan-2-ylamino)propan-1-ol
CID 66323596
(2S)-1-(2-cyclobutylethoxy)propan-2-ol
CID 106204019
3-(2-cyclobutylethoxy)-2-(propan-2-ylamino)propanoic acid
CID 106204662
2-(propan-2-ylamino)-3-(4,4,4-trifluorobutoxy)propan-1-ol
CID 82793573
3-(2-cyclopropylethoxy)-2-(propylamino)propan-1-ol
CID 106206742
4-(cyclopentylmethoxy)-2-(propan-2-ylamino)butan-1-ol
CID 66324433
3-(2-methylpropoxy)-2-(propan-2-ylamino)propan-1-ol
CID 15004701
(2S)-3-methoxy-2-(propan-2-ylamino)propan-1-ol
CID 130685651
(2S)-1-(2-cyclopropylethoxy)propan-2-ol
CID 106203926
3-[cyclobutylmethyl(methyl)amino]-2-(propan-2-ylamino)propan-1-ol
CID 64787053
1-(2-cyclopropylethoxy)propan-2-amine
CID 106200486
6-(2-cyclobutylethoxy)-2-methyl-2-(propan-2-ylamino)hexan-1-ol
CID 106206844

Frequently Asked Questions

What is the IUPAC name of 3-(2-cyclobutylethoxy)-2-(propan-2-ylamino)propan-1-ol?
The IUPAC name of 3-(2-cyclobutylethoxy)-2-(propan-2-ylamino)propan-1-ol (CID 106206822) is 3-(2-cyclobutylethoxy)-2-(propan-2-ylamino)propan-1-ol.
What is the SMILES notation for 3-(2-cyclobutylethoxy)-2-(propan-2-ylamino)propan-1-ol?
The canonical SMILES for 3-(2-cyclobutylethoxy)-2-(propan-2-ylamino)propan-1-ol is CC(C)NC(CO)COCCC1CCC1.
What is the InChIKey of 3-(2-cyclobutylethoxy)-2-(propan-2-ylamino)propan-1-ol?
The InChIKey is RXBRTZLPNUMJPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO2/c1-10(2)13-12(8-14)9-15-7-6-11-4-3-5-11/h10-14H,3-9H2,1-2H3.
What are the key properties of 3-(2-cyclobutylethoxy)-2-(propan-2-ylamino)propan-1-ol?
3-(2-cyclobutylethoxy)-2-(propan-2-ylamino)propan-1-ol has a molecular weight of 215.34 g/mol, XLogP of 1.55, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-cyclobutylethoxy)-2-(propan-2-ylamino)propan-1-ol is sourced from PubChem (CID 106206822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).