1-(dipropylamino)-3-propan-2-yloxypropan-2-ol

C12H27NO2 — CID 60634039

IUPAC1-(dipropylamino)-3-propan-2-yloxypropan-2-ol
SMILESCCCN(CCC)CC(O)COC(C)C
InChIInChI=1S/C12H27NO2/c1-5-7-13(8-6-2)9-12(14)10-15-11(3)4/h11-12,14H,5-10H2,1-4H3
InChIKeyKWTICTCHCMCPON-UHFFFAOYSA-N
MW217.35 g/mol
LogP1.89
Rot. Bonds9

About 1-(dipropylamino)-3-propan-2-yloxypropan-2-ol

1-(dipropylamino)-3-propan-2-yloxypropan-2-ol (PubChem CID 60634039) has the molecular formula C12H27NO2 and a molecular weight of 217.35 g/mol. Its IUPAC name is 1-(dipropylamino)-3-propan-2-yloxypropan-2-ol.

Molecular Properties

Compound Name1-(dipropylamino)-3-propan-2-yloxypropan-2-ol
PubChem CID60634039
Molecular FormulaC12H27NO2
Molecular Weight217.35 g/mol
Exact Mass217.20
IUPAC Name1-(dipropylamino)-3-propan-2-yloxypropan-2-ol
SMILESCCCN(CCC)CC(O)COC(C)C
InChIInChI=1S/C12H27NO2/c1-5-7-13(8-6-2)9-12(14)10-15-11(3)4/h11-12,14H,5-10H2,1-4H3
InChIKeyKWTICTCHCMCPON-UHFFFAOYSA-N
XLogP1.89
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.35
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(dipropylamino)-3-propan-2-yloxypropan-2-ol?
The IUPAC name of 1-(dipropylamino)-3-propan-2-yloxypropan-2-ol (CID 60634039) is 1-(dipropylamino)-3-propan-2-yloxypropan-2-ol.
What is the SMILES notation for 1-(dipropylamino)-3-propan-2-yloxypropan-2-ol?
The canonical SMILES for 1-(dipropylamino)-3-propan-2-yloxypropan-2-ol is CCCN(CCC)CC(O)COC(C)C.
What is the InChIKey of 1-(dipropylamino)-3-propan-2-yloxypropan-2-ol?
The InChIKey is KWTICTCHCMCPON-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27NO2/c1-5-7-13(8-6-2)9-12(14)10-15-11(3)4/h11-12,14H,5-10H2,1-4H3.
What are the key properties of 1-(dipropylamino)-3-propan-2-yloxypropan-2-ol?
1-(dipropylamino)-3-propan-2-yloxypropan-2-ol has a molecular weight of 217.35 g/mol, XLogP of 1.89, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(dipropylamino)-3-propan-2-yloxypropan-2-ol is sourced from PubChem (CID 60634039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).