3-(3-methylpentylamino)propan-1-ol

C9H21NO — CID 57044110

IUPAC3-(3-methylpentylamino)propan-1-ol
SMILESCCC(C)CCNCCCO
InChIInChI=1S/C9H21NO/c1-3-9(2)5-7-10-6-4-8-11/h9-11H,3-8H2,1-2H3
InChIKeySSYIXMUAFNWSMH-UHFFFAOYSA-N
MW159.27 g/mol
LogP1.39
Rot. Bonds7

About 3-(3-methylpentylamino)propan-1-ol

3-(3-methylpentylamino)propan-1-ol (PubChem CID 57044110) has the molecular formula C9H21NO and a molecular weight of 159.27 g/mol. Its IUPAC name is 3-(3-methylpentylamino)propan-1-ol.

Molecular Properties

Compound Name3-(3-methylpentylamino)propan-1-ol
PubChem CID57044110
Molecular FormulaC9H21NO
Molecular Weight159.27 g/mol
Exact Mass159.16
IUPAC Name3-(3-methylpentylamino)propan-1-ol
SMILESCCC(C)CCNCCCO
InChIInChI=1S/C9H21NO/c1-3-9(2)5-7-10-6-4-8-11/h9-11H,3-8H2,1-2H3
InChIKeySSYIXMUAFNWSMH-UHFFFAOYSA-N
XLogP1.39
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.27
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(3-methylpentylamino)propan-1-ol?
The IUPAC name of 3-(3-methylpentylamino)propan-1-ol (CID 57044110) is 3-(3-methylpentylamino)propan-1-ol.
What is the SMILES notation for 3-(3-methylpentylamino)propan-1-ol?
The canonical SMILES for 3-(3-methylpentylamino)propan-1-ol is CCC(C)CCNCCCO.
What is the InChIKey of 3-(3-methylpentylamino)propan-1-ol?
The InChIKey is SSYIXMUAFNWSMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21NO/c1-3-9(2)5-7-10-6-4-8-11/h9-11H,3-8H2,1-2H3.
What are the key properties of 3-(3-methylpentylamino)propan-1-ol?
3-(3-methylpentylamino)propan-1-ol has a molecular weight of 159.27 g/mol, XLogP of 1.39, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methylpentylamino)propan-1-ol is sourced from PubChem (CID 57044110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).