3-[amino(3-hydroxypropyl)amino]propan-1-ol

C6H16N2O2 — CID 18690765

IUPAC3-[amino(3-hydroxypropyl)amino]propan-1-ol
SMILESNN(CCCO)CCCO
InChIInChI=1S/C6H16N2O2/c7-8(3-1-5-9)4-2-6-10/h9-10H,1-7H2
InChIKeyMSNRXRWSWWJJLS-UHFFFAOYSA-N
MW148.21 g/mol
LogP-1.07
Rot. Bonds6

About 3-[amino(3-hydroxypropyl)amino]propan-1-ol

3-[amino(3-hydroxypropyl)amino]propan-1-ol (PubChem CID 18690765) has the molecular formula C6H16N2O2 and a molecular weight of 148.21 g/mol. Its IUPAC name is 3-[amino(3-hydroxypropyl)amino]propan-1-ol.

Molecular Properties

Compound Name3-[amino(3-hydroxypropyl)amino]propan-1-ol
PubChem CID18690765
Molecular FormulaC6H16N2O2
Molecular Weight148.21 g/mol
Exact Mass148.12
IUPAC Name3-[amino(3-hydroxypropyl)amino]propan-1-ol
SMILESNN(CCCO)CCCO
InChIInChI=1S/C6H16N2O2/c7-8(3-1-5-9)4-2-6-10/h9-10H,1-7H2
InChIKeyMSNRXRWSWWJJLS-UHFFFAOYSA-N
XLogP-1.07
TPSA69.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.21
LogP ≤ 5-1.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-[amino(3-hydroxypropyl)amino]propanoic acid
CID 123185238
2-[amino(hexyl)amino]ethanol
CID 174585549
3-[3-[bis[3-[bis(3-hydroxypropyl)amino]propyl]amino]propyl-(3-hydroxypropyl)amino]propan-1-ol
CID 176699936
azane;octakis(butane-1,4-diol)
CID 173377605
3-[aminomethyl(methyl)amino]propan-1-ol
CID 169233831
3-[2-hydroxyethyl(3-hydroxypropyl)amino]propan-1-ol;methane
CID 158407678
3-(dimethylamino)propan-1-ol;ethane
CID 142056104
3-[bis(3-hydroxypropyl)amino]propan-1-ol;boric acid
CID 87147461
3-[3-aminopropyl(methyl)amino]propan-1-ol
CID 45088131
CID 175591031
CID 175591031
CID 11431888
CID 11431888
bis(3-(diethylamino)propan-1-ol);zirconium
CID 158788459

Frequently Asked Questions

What is the IUPAC name of 3-[amino(3-hydroxypropyl)amino]propan-1-ol?
The IUPAC name of 3-[amino(3-hydroxypropyl)amino]propan-1-ol (CID 18690765) is 3-[amino(3-hydroxypropyl)amino]propan-1-ol.
What is the SMILES notation for 3-[amino(3-hydroxypropyl)amino]propan-1-ol?
The canonical SMILES for 3-[amino(3-hydroxypropyl)amino]propan-1-ol is NN(CCCO)CCCO.
What is the InChIKey of 3-[amino(3-hydroxypropyl)amino]propan-1-ol?
The InChIKey is MSNRXRWSWWJJLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H16N2O2/c7-8(3-1-5-9)4-2-6-10/h9-10H,1-7H2.
What are the key properties of 3-[amino(3-hydroxypropyl)amino]propan-1-ol?
3-[amino(3-hydroxypropyl)amino]propan-1-ol has a molecular weight of 148.21 g/mol, XLogP of -1.07, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[amino(3-hydroxypropyl)amino]propan-1-ol is sourced from PubChem (CID 18690765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).