3-methyl-3-(propylamino)pentan-1-ol

C9H21NO — CID 65235268

IUPAC3-methyl-3-(propylamino)pentan-1-ol
SMILESCCCNC(C)(CC)CCO
InChIInChI=1S/C9H21NO/c1-4-7-10-9(3,5-2)6-8-11/h10-11H,4-8H2,1-3H3
InChIKeyVKRVIKKNZOAUNL-UHFFFAOYSA-N
MW159.27 g/mol
LogP1.54
Rot. Bonds6

About 3-methyl-3-(propylamino)pentan-1-ol

3-methyl-3-(propylamino)pentan-1-ol (PubChem CID 65235268) has the molecular formula C9H21NO and a molecular weight of 159.27 g/mol. Its IUPAC name is 3-methyl-3-(propylamino)pentan-1-ol.

Molecular Properties

Compound Name3-methyl-3-(propylamino)pentan-1-ol
PubChem CID65235268
Molecular FormulaC9H21NO
Molecular Weight159.27 g/mol
Exact Mass159.16
IUPAC Name3-methyl-3-(propylamino)pentan-1-ol
SMILESCCCNC(C)(CC)CCO
InChIInChI=1S/C9H21NO/c1-4-7-10-9(3,5-2)6-8-11/h10-11H,4-8H2,1-3H3
InChIKeyVKRVIKKNZOAUNL-UHFFFAOYSA-N
XLogP1.54
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.27
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-3-(propylamino)pentan-1-ol?
The IUPAC name of 3-methyl-3-(propylamino)pentan-1-ol (CID 65235268) is 3-methyl-3-(propylamino)pentan-1-ol.
What is the SMILES notation for 3-methyl-3-(propylamino)pentan-1-ol?
The canonical SMILES for 3-methyl-3-(propylamino)pentan-1-ol is CCCNC(C)(CC)CCO.
What is the InChIKey of 3-methyl-3-(propylamino)pentan-1-ol?
The InChIKey is VKRVIKKNZOAUNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21NO/c1-4-7-10-9(3,5-2)6-8-11/h10-11H,4-8H2,1-3H3.
What are the key properties of 3-methyl-3-(propylamino)pentan-1-ol?
3-methyl-3-(propylamino)pentan-1-ol has a molecular weight of 159.27 g/mol, XLogP of 1.54, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3-(propylamino)pentan-1-ol is sourced from PubChem (CID 65235268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).