1,3-bis(3-hydroxypropylamino)propan-1-ol

C9H22N2O3 — CID 18172931

IUPAC1,3-bis(3-hydroxypropylamino)propan-1-ol
SMILESOCCCNCCC(O)NCCCO
InChIInChI=1S/C9H22N2O3/c12-7-1-4-10-6-3-9(14)11-5-2-8-13/h9-14H,1-8H2
InChIKeyNKVCEOGXABXWEC-UHFFFAOYSA-N
MW206.29 g/mol
LogP-1.36
Rot. Bonds10

About 1,3-bis(3-hydroxypropylamino)propan-1-ol

1,3-bis(3-hydroxypropylamino)propan-1-ol (PubChem CID 18172931) has the molecular formula C9H22N2O3 and a molecular weight of 206.29 g/mol. Its IUPAC name is 1,3-bis(3-hydroxypropylamino)propan-1-ol.

Molecular Properties

Compound Name1,3-bis(3-hydroxypropylamino)propan-1-ol
PubChem CID18172931
Molecular FormulaC9H22N2O3
Molecular Weight206.29 g/mol
Exact Mass206.16
IUPAC Name1,3-bis(3-hydroxypropylamino)propan-1-ol
SMILESOCCCNCCC(O)NCCCO
InChIInChI=1S/C9H22N2O3/c12-7-1-4-10-6-3-9(14)11-5-2-8-13/h9-14H,1-8H2
InChIKeyNKVCEOGXABXWEC-UHFFFAOYSA-N
XLogP-1.36
TPSA84.75 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 5-1.36
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-(3-hydroxypropylamino)octan-1-ol
CID 57106869
1-(3-hydroxypropylamino)decan-1-ol
CID 57171427
1-[5-(dodecylamino)pentylamino]pentan-1-ol
CID 166892872
3-amino-5-(3-hydroxypropylamino)pentan-1-ol
CID 87783733
1-(4-hydroxybutylamino)tetracosan-1-ol
CID 88518032
1-(4-hydroxybutylamino)icosan-1-ol
CID 57137086
N-octyloctan-1-amine;5-(propan-2-ylamino)pentan-1-ol
CID 21412290
12-(12-hydroxydodecylamino)dodecan-1-ol
CID 18618691
4-[3-[4-[3-(4-hydroxybutylamino)propylamino]butylamino]propylamino]butan-1-ol
CID 178169165
13-[2-(3-hydroxypropylamino)ethyl]pentacosane-12,14-dione
CID 87067960
1-(butylamino)dodecan-1-ol
CID 88517958
1-(butylamino)heptan-1-ol
CID 88518025

Frequently Asked Questions

What is the IUPAC name of 1,3-bis(3-hydroxypropylamino)propan-1-ol?
The IUPAC name of 1,3-bis(3-hydroxypropylamino)propan-1-ol (CID 18172931) is 1,3-bis(3-hydroxypropylamino)propan-1-ol.
What is the SMILES notation for 1,3-bis(3-hydroxypropylamino)propan-1-ol?
The canonical SMILES for 1,3-bis(3-hydroxypropylamino)propan-1-ol is OCCCNCCC(O)NCCCO.
What is the InChIKey of 1,3-bis(3-hydroxypropylamino)propan-1-ol?
The InChIKey is NKVCEOGXABXWEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H22N2O3/c12-7-1-4-10-6-3-9(14)11-5-2-8-13/h9-14H,1-8H2.
What are the key properties of 1,3-bis(3-hydroxypropylamino)propan-1-ol?
1,3-bis(3-hydroxypropylamino)propan-1-ol has a molecular weight of 206.29 g/mol, XLogP of -1.36, 10 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis(3-hydroxypropylamino)propan-1-ol is sourced from PubChem (CID 18172931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).