1-(dipropylamino)-4,4-dimethylpentan-3-ol

C13H29NO — CID 62623381

IUPAC1-(dipropylamino)-4,4-dimethylpentan-3-ol
SMILESCCCN(CCC)CCC(O)C(C)(C)C
InChIInChI=1S/C13H29NO/c1-6-9-14(10-7-2)11-8-12(15)13(3,4)5/h12,15H,6-11H2,1-5H3
InChIKeyCUHPKCDUZNGOKZ-UHFFFAOYSA-N
MW215.38 g/mol
LogP2.91
Rot. Bonds7

About 1-(dipropylamino)-4,4-dimethylpentan-3-ol

1-(dipropylamino)-4,4-dimethylpentan-3-ol (PubChem CID 62623381) has the molecular formula C13H29NO and a molecular weight of 215.38 g/mol. Its IUPAC name is 1-(dipropylamino)-4,4-dimethylpentan-3-ol.

Molecular Properties

Compound Name1-(dipropylamino)-4,4-dimethylpentan-3-ol
PubChem CID62623381
Molecular FormulaC13H29NO
Molecular Weight215.38 g/mol
Exact Mass215.22
IUPAC Name1-(dipropylamino)-4,4-dimethylpentan-3-ol
SMILESCCCN(CCC)CCC(O)C(C)(C)C
InChIInChI=1S/C13H29NO/c1-6-9-14(10-7-2)11-8-12(15)13(3,4)5/h12,15H,6-11H2,1-5H3
InChIKeyCUHPKCDUZNGOKZ-UHFFFAOYSA-N
XLogP2.91
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.38
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(dipropylamino)-4,4-dimethylpentan-3-ol?
The IUPAC name of 1-(dipropylamino)-4,4-dimethylpentan-3-ol (CID 62623381) is 1-(dipropylamino)-4,4-dimethylpentan-3-ol.
What is the SMILES notation for 1-(dipropylamino)-4,4-dimethylpentan-3-ol?
The canonical SMILES for 1-(dipropylamino)-4,4-dimethylpentan-3-ol is CCCN(CCC)CCC(O)C(C)(C)C.
What is the InChIKey of 1-(dipropylamino)-4,4-dimethylpentan-3-ol?
The InChIKey is CUHPKCDUZNGOKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29NO/c1-6-9-14(10-7-2)11-8-12(15)13(3,4)5/h12,15H,6-11H2,1-5H3.
What are the key properties of 1-(dipropylamino)-4,4-dimethylpentan-3-ol?
1-(dipropylamino)-4,4-dimethylpentan-3-ol has a molecular weight of 215.38 g/mol, XLogP of 2.91, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(dipropylamino)-4,4-dimethylpentan-3-ol is sourced from PubChem (CID 62623381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).