3-propyl-3-(propylamino)hexan-1-ol

C12H27NO — CID 65234503

IUPAC3-propyl-3-(propylamino)hexan-1-ol
SMILESCCCNC(CCC)(CCC)CCO
InChIInChI=1S/C12H27NO/c1-4-7-12(8-5-2,9-11-14)13-10-6-3/h13-14H,4-11H2,1-3H3
InChIKeyJJHQIRRMPROXKC-UHFFFAOYSA-N
MW201.35 g/mol
LogP2.71
Rot. Bonds9

About 3-propyl-3-(propylamino)hexan-1-ol

3-propyl-3-(propylamino)hexan-1-ol (PubChem CID 65234503) has the molecular formula C12H27NO and a molecular weight of 201.35 g/mol. Its IUPAC name is 3-propyl-3-(propylamino)hexan-1-ol.

Molecular Properties

Compound Name3-propyl-3-(propylamino)hexan-1-ol
PubChem CID65234503
Molecular FormulaC12H27NO
Molecular Weight201.35 g/mol
Exact Mass201.21
IUPAC Name3-propyl-3-(propylamino)hexan-1-ol
SMILESCCCNC(CCC)(CCC)CCO
InChIInChI=1S/C12H27NO/c1-4-7-12(8-5-2,9-11-14)13-10-6-3/h13-14H,4-11H2,1-3H3
InChIKeyJJHQIRRMPROXKC-UHFFFAOYSA-N
XLogP2.71
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.35
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-propyl-3-(propylamino)hexan-1-ol?
The IUPAC name of 3-propyl-3-(propylamino)hexan-1-ol (CID 65234503) is 3-propyl-3-(propylamino)hexan-1-ol.
What is the SMILES notation for 3-propyl-3-(propylamino)hexan-1-ol?
The canonical SMILES for 3-propyl-3-(propylamino)hexan-1-ol is CCCNC(CCC)(CCC)CCO.
What is the InChIKey of 3-propyl-3-(propylamino)hexan-1-ol?
The InChIKey is JJHQIRRMPROXKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27NO/c1-4-7-12(8-5-2,9-11-14)13-10-6-3/h13-14H,4-11H2,1-3H3.
What are the key properties of 3-propyl-3-(propylamino)hexan-1-ol?
3-propyl-3-(propylamino)hexan-1-ol has a molecular weight of 201.35 g/mol, XLogP of 2.71, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propyl-3-(propylamino)hexan-1-ol is sourced from PubChem (CID 65234503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).