2-[bis(3-aminopropyl)amino]ethanol

C8H21N3O — CID 19359070

IUPAC2-[bis(3-aminopropyl)amino]ethanol
SMILESNCCCN(CCO)CCCN
InChIInChI=1S/C8H21N3O/c9-3-1-5-11(7-8-12)6-2-4-10/h12H,1-10H2
InChIKeyPOGBEGTVYWWXSF-UHFFFAOYSA-N
MW175.28 g/mol
LogP-1.02
Rot. Bonds8

About 2-[bis(3-aminopropyl)amino]ethanol

2-[bis(3-aminopropyl)amino]ethanol (PubChem CID 19359070) has the molecular formula C8H21N3O and a molecular weight of 175.28 g/mol. Its IUPAC name is 2-[bis(3-aminopropyl)amino]ethanol.

Molecular Properties

Compound Name2-[bis(3-aminopropyl)amino]ethanol
PubChem CID19359070
Molecular FormulaC8H21N3O
Molecular Weight175.28 g/mol
Exact Mass175.17
IUPAC Name2-[bis(3-aminopropyl)amino]ethanol
SMILESNCCCN(CCO)CCCN
InChIInChI=1S/C8H21N3O/c9-3-1-5-11(7-8-12)6-2-4-10/h12H,1-10H2
InChIKeyPOGBEGTVYWWXSF-UHFFFAOYSA-N
XLogP-1.02
TPSA75.51 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.28
LogP ≤ 5-1.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[bis(3-aminopropyl)amino]ethanol?
The IUPAC name of 2-[bis(3-aminopropyl)amino]ethanol (CID 19359070) is 2-[bis(3-aminopropyl)amino]ethanol.
What is the SMILES notation for 2-[bis(3-aminopropyl)amino]ethanol?
The canonical SMILES for 2-[bis(3-aminopropyl)amino]ethanol is NCCCN(CCO)CCCN.
What is the InChIKey of 2-[bis(3-aminopropyl)amino]ethanol?
The InChIKey is POGBEGTVYWWXSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H21N3O/c9-3-1-5-11(7-8-12)6-2-4-10/h12H,1-10H2.
What are the key properties of 2-[bis(3-aminopropyl)amino]ethanol?
2-[bis(3-aminopropyl)amino]ethanol has a molecular weight of 175.28 g/mol, XLogP of -1.02, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bis(3-aminopropyl)amino]ethanol is sourced from PubChem (CID 19359070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).