2-methyl-3-pentoxy-2-(propan-2-ylamino)propan-1-ol

C12H27NO2 — CID 64807508

IUPAC2-methyl-3-pentoxy-2-(propan-2-ylamino)propan-1-ol
SMILESCCCCCOCC(C)(CO)NC(C)C
InChIInChI=1S/C12H27NO2/c1-5-6-7-8-15-10-12(4,9-14)13-11(2)3/h11,13-14H,5-10H2,1-4H3
InChIKeySGXRHSXYCOTIFN-UHFFFAOYSA-N
MW217.35 g/mol
LogP1.94
Rot. Bonds9

About 2-methyl-3-pentoxy-2-(propan-2-ylamino)propan-1-ol

2-methyl-3-pentoxy-2-(propan-2-ylamino)propan-1-ol (PubChem CID 64807508) has the molecular formula C12H27NO2 and a molecular weight of 217.35 g/mol. Its IUPAC name is 2-methyl-3-pentoxy-2-(propan-2-ylamino)propan-1-ol.

Molecular Properties

Compound Name2-methyl-3-pentoxy-2-(propan-2-ylamino)propan-1-ol
PubChem CID64807508
Molecular FormulaC12H27NO2
Molecular Weight217.35 g/mol
Exact Mass217.20
IUPAC Name2-methyl-3-pentoxy-2-(propan-2-ylamino)propan-1-ol
SMILESCCCCCOCC(C)(CO)NC(C)C
InChIInChI=1S/C12H27NO2/c1-5-6-7-8-15-10-12(4,9-14)13-11(2)3/h11,13-14H,5-10H2,1-4H3
InChIKeySGXRHSXYCOTIFN-UHFFFAOYSA-N
XLogP1.94
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.35
LogP ≤ 51.94
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

5-hexoxy-2-methyl-2-(propan-2-ylamino)pentan-1-ol
CID 64811239
2-methyl-3-(4-methylpentoxy)-2-(propan-2-ylamino)propan-1-ol
CID 64803162
2-methyl-2-(propan-2-ylamino)-3-(3,3,3-trifluoropropoxy)propan-1-ol
CID 82958060
6-(3-methoxypropoxy)-2-methyl-2-(propan-2-ylamino)hexan-1-ol
CID 64810830
3-butoxy-2-methyl-2-(methylamino)propan-1-ol
CID 64807504
2-ethyl-5-heptoxy-2-(propan-2-ylamino)pentan-1-ol
CID 106810270
2-methyl-2-(propan-2-ylamino)-6-(2-propan-2-yloxyethoxy)hexan-1-ol
CID 64805299
2-methyl-2-(propan-2-ylamino)-6-(4,4,4-trifluorobutoxy)hexan-1-ol
CID 82795380
2-methyl-6-(2-methylpentoxy)-2-(propan-2-ylamino)hexan-1-ol
CID 103286053
3-(2-butoxyethoxy)-2-(ethylamino)-2-methylpropan-1-ol
CID 64803984
6-(2-cyclobutylethoxy)-2-methyl-2-(propan-2-ylamino)hexan-1-ol
CID 106206844
2-methyl-2-(methylamino)-4-octoxybutan-1-ol
CID 64811849

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-pentoxy-2-(propan-2-ylamino)propan-1-ol?
The IUPAC name of 2-methyl-3-pentoxy-2-(propan-2-ylamino)propan-1-ol (CID 64807508) is 2-methyl-3-pentoxy-2-(propan-2-ylamino)propan-1-ol.
What is the SMILES notation for 2-methyl-3-pentoxy-2-(propan-2-ylamino)propan-1-ol?
The canonical SMILES for 2-methyl-3-pentoxy-2-(propan-2-ylamino)propan-1-ol is CCCCCOCC(C)(CO)NC(C)C.
What is the InChIKey of 2-methyl-3-pentoxy-2-(propan-2-ylamino)propan-1-ol?
The InChIKey is SGXRHSXYCOTIFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27NO2/c1-5-6-7-8-15-10-12(4,9-14)13-11(2)3/h11,13-14H,5-10H2,1-4H3.
What are the key properties of 2-methyl-3-pentoxy-2-(propan-2-ylamino)propan-1-ol?
2-methyl-3-pentoxy-2-(propan-2-ylamino)propan-1-ol has a molecular weight of 217.35 g/mol, XLogP of 1.94, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-pentoxy-2-(propan-2-ylamino)propan-1-ol is sourced from PubChem (CID 64807508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).