3-[bis(3-aminopropyl)phosphoryl]propan-1-ol

C9H23N2O2P — CID 139787157

IUPAC3-[bis(3-aminopropyl)phosphoryl]propan-1-ol
SMILESNCCCP(=O)(CCCN)CCCO
InChIInChI=1S/C9H23N2O2P/c10-4-1-7-14(13,8-2-5-11)9-3-6-12/h12H,1-11H2
InChIKeyKDBSJLMDGURRFV-UHFFFAOYSA-N
MW222.27 g/mol
LogP0.43
Rot. Bonds9

About 3-[bis(3-aminopropyl)phosphoryl]propan-1-ol

3-[bis(3-aminopropyl)phosphoryl]propan-1-ol (PubChem CID 139787157) has the molecular formula C9H23N2O2P and a molecular weight of 222.27 g/mol. Its IUPAC name is 3-[bis(3-aminopropyl)phosphoryl]propan-1-ol.

Molecular Properties

Compound Name3-[bis(3-aminopropyl)phosphoryl]propan-1-ol
PubChem CID139787157
Molecular FormulaC9H23N2O2P
Molecular Weight222.27 g/mol
Exact Mass222.15
IUPAC Name3-[bis(3-aminopropyl)phosphoryl]propan-1-ol
SMILESNCCCP(=O)(CCCN)CCCO
InChIInChI=1S/C9H23N2O2P/c10-4-1-7-14(13,8-2-5-11)9-3-6-12/h12H,1-11H2
InChIKeyKDBSJLMDGURRFV-UHFFFAOYSA-N
XLogP0.43
TPSA89.34 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.27
LogP ≤ 50.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[dodecyl(3-hydroxypropyl)phosphoryl]propan-1-ol
CID 89306365
2-aminoethanol;iron(3+);phosphate
CID 87771610
8-[hexyl(octyl)phosphoryl]octan-1-ol
CID 139594287
36-aminohexatriacontan-1-ol
CID 87686190
3-aminopropan-1-ol;ethane
CID 91172061
sodium;3-aminopropan-1-ol;hydride
CID 173357693
3-aminopropyl(methyl)phosphinic acid chloride
CID 53346869
2-aminoethanol;butane-1,4-diol
CID 135347340
3-aminopropylphosphonic acid;dihydroxy(oxo)phosphanium
CID 88769819
tetrakis(2-aminoethanol);phosphoric acid;hydrochloride
CID 174414439
6-aminohexan-1-ol;hydrochloride
CID 21259387
2-aminoethanol;phosphane;phosphoric acid
CID 174583262

Frequently Asked Questions

What is the IUPAC name of 3-[bis(3-aminopropyl)phosphoryl]propan-1-ol?
The IUPAC name of 3-[bis(3-aminopropyl)phosphoryl]propan-1-ol (CID 139787157) is 3-[bis(3-aminopropyl)phosphoryl]propan-1-ol.
What is the SMILES notation for 3-[bis(3-aminopropyl)phosphoryl]propan-1-ol?
The canonical SMILES for 3-[bis(3-aminopropyl)phosphoryl]propan-1-ol is NCCCP(=O)(CCCN)CCCO.
What is the InChIKey of 3-[bis(3-aminopropyl)phosphoryl]propan-1-ol?
The InChIKey is KDBSJLMDGURRFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H23N2O2P/c10-4-1-7-14(13,8-2-5-11)9-3-6-12/h12H,1-11H2.
What are the key properties of 3-[bis(3-aminopropyl)phosphoryl]propan-1-ol?
3-[bis(3-aminopropyl)phosphoryl]propan-1-ol has a molecular weight of 222.27 g/mol, XLogP of 0.43, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[bis(3-aminopropyl)phosphoryl]propan-1-ol is sourced from PubChem (CID 139787157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).