1-(pentan-2-ylamino)-3-propan-2-yloxypropan-2-ol

C11H25NO2 — CID 60634427

IUPAC1-(pentan-2-ylamino)-3-propan-2-yloxypropan-2-ol
SMILESCCCC(C)NCC(O)COC(C)C
InChIInChI=1S/C11H25NO2/c1-5-6-10(4)12-7-11(13)8-14-9(2)3/h9-13H,5-8H2,1-4H3
InChIKeyBNQJIPJVGNJSSF-UHFFFAOYSA-N
MW203.33 g/mol
LogP1.55
Rot. Bonds8

About 1-(pentan-2-ylamino)-3-propan-2-yloxypropan-2-ol

1-(pentan-2-ylamino)-3-propan-2-yloxypropan-2-ol (PubChem CID 60634427) has the molecular formula C11H25NO2 and a molecular weight of 203.33 g/mol. Its IUPAC name is 1-(pentan-2-ylamino)-3-propan-2-yloxypropan-2-ol.

Molecular Properties

Compound Name1-(pentan-2-ylamino)-3-propan-2-yloxypropan-2-ol
PubChem CID60634427
Molecular FormulaC11H25NO2
Molecular Weight203.33 g/mol
Exact Mass203.19
IUPAC Name1-(pentan-2-ylamino)-3-propan-2-yloxypropan-2-ol
SMILESCCCC(C)NCC(O)COC(C)C
InChIInChI=1S/C11H25NO2/c1-5-6-10(4)12-7-11(13)8-14-9(2)3/h9-13H,5-8H2,1-4H3
InChIKeyBNQJIPJVGNJSSF-UHFFFAOYSA-N
XLogP1.55
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.33
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-1-[[(2R)-2-hydroxy-3-propan-2-yloxypropyl]amino]-3-propan-2-yloxypropan-2-ol
CID 38999921
1-(hexan-2-ylamino)-3-methoxypropan-2-ol
CID 63929255
1-(heptan-2-ylamino)-3-methoxypropan-2-ol
CID 63930489
1-(butan-2-ylamino)pentan-2-ol
CID 21435603
1-(pentan-2-ylamino)-3-(2,3,6-trimethylphenoxy)propan-2-ol
CID 3992440
4-[2-hydroxy-3-(pentan-2-ylamino)propoxy]benzonitrile
CID 60634605
1-(2-ethoxyethoxy)-3-(hexan-2-ylamino)propan-2-ol
CID 62199472
1-(6-methylheptan-2-ylamino)-3-(4-methylpentan-2-yloxy)propan-2-ol
CID 60635420
2-[(2-hydroxy-3-propan-2-yloxypropyl)amino]-4-methylpentan-1-ol
CID 61246280
1-(3-methylcyclohexyl)oxy-3-(pentan-2-ylamino)propan-2-ol
CID 60634369
1-(pentan-2-ylamino)-3-(thiophen-2-ylmethoxy)propan-2-ol
CID 60634664
1,1-difluoro-3-(pentan-2-ylamino)propan-2-ol
CID 103787947

Frequently Asked Questions

What is the IUPAC name of 1-(pentan-2-ylamino)-3-propan-2-yloxypropan-2-ol?
The IUPAC name of 1-(pentan-2-ylamino)-3-propan-2-yloxypropan-2-ol (CID 60634427) is 1-(pentan-2-ylamino)-3-propan-2-yloxypropan-2-ol.
What is the SMILES notation for 1-(pentan-2-ylamino)-3-propan-2-yloxypropan-2-ol?
The canonical SMILES for 1-(pentan-2-ylamino)-3-propan-2-yloxypropan-2-ol is CCCC(C)NCC(O)COC(C)C.
What is the InChIKey of 1-(pentan-2-ylamino)-3-propan-2-yloxypropan-2-ol?
The InChIKey is BNQJIPJVGNJSSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25NO2/c1-5-6-10(4)12-7-11(13)8-14-9(2)3/h9-13H,5-8H2,1-4H3.
What are the key properties of 1-(pentan-2-ylamino)-3-propan-2-yloxypropan-2-ol?
1-(pentan-2-ylamino)-3-propan-2-yloxypropan-2-ol has a molecular weight of 203.33 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 1-(pentan-2-ylamino)-3-propan-2-yloxypropan-2-ol is sourced from PubChem (CID 60634427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).