3-[bis(2-hydroxyethyl)amino]propylcarbamic acid

C8H18N2O4 — CID 19088424

IUPAC3-[bis(2-hydroxyethyl)amino]propylcarbamic acid
SMILESO=C(O)NCCCN(CCO)CCO
InChIInChI=1S/C8H18N2O4/c11-6-4-10(5-7-12)3-1-2-9-8(13)14/h9,11-12H,1-7H2,(H,13,14)
InChIKeyKOFCSAFCIZONKC-UHFFFAOYSA-N
MW206.24 g/mol
LogP-1.07
Rot. Bonds8

About 3-[bis(2-hydroxyethyl)amino]propylcarbamic acid

3-[bis(2-hydroxyethyl)amino]propylcarbamic acid (PubChem CID 19088424) has the molecular formula C8H18N2O4 and a molecular weight of 206.24 g/mol. Its IUPAC name is 3-[bis(2-hydroxyethyl)amino]propylcarbamic acid.

Molecular Properties

Compound Name3-[bis(2-hydroxyethyl)amino]propylcarbamic acid
PubChem CID19088424
Molecular FormulaC8H18N2O4
Molecular Weight206.24 g/mol
Exact Mass206.13
IUPAC Name3-[bis(2-hydroxyethyl)amino]propylcarbamic acid
SMILESO=C(O)NCCCN(CCO)CCO
InChIInChI=1S/C8H18N2O4/c11-6-4-10(5-7-12)3-1-2-9-8(13)14/h9,11-12H,1-7H2,(H,13,14)
InChIKeyKOFCSAFCIZONKC-UHFFFAOYSA-N
XLogP-1.07
TPSA93.03 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.24
LogP ≤ 5-1.07
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[3-[bis(2-hydroxyethyl)amino]propyl]acetamide
CID 143571898
CID 162306513
CID 162306513
3-(dimethylamino)propylcarbamic acid;hydrochloride
CID 87158282
2-[bis[3-[bis(2-hydroxyethyl)amino]propyl]amino]ethanol
CID 167139785
2-[3-[3-[bis(2-hydroxyethyl)amino]propylamino]propyl-(2-hydroxyethyl)amino]ethanol;trihydrofluoride
CID 173445075
6-[2-carboxyethyl(2-hydroxyethyl)amino]hexanoic acid
CID 82329589
N-(3-aminopropyl)-3-[[3-(3-aminopropylamino)-3-oxopropyl]-(2-hydroxyethyl)amino]propanamide
CID 172946431
6-(2-hydroxyethylamino)hexylcarbamic acid
CID 18423740
N-[3-[bis(2-hydroxyethyl)amino]propyl]-2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptanamide
CID 163324662
N-dodecyl-3-[hexyl(2-hydroxyethyl)amino]propanamide
CID 58105400
3-[3-acetamidopropyl(2-hydroxyethyl)amino]-2-methylpropanoic acid
CID 82329659
3-(3-hydroxypropoxy)propylcarbamic acid
CID 155251053

Frequently Asked Questions

What is the IUPAC name of 3-[bis(2-hydroxyethyl)amino]propylcarbamic acid?
The IUPAC name of 3-[bis(2-hydroxyethyl)amino]propylcarbamic acid (CID 19088424) is 3-[bis(2-hydroxyethyl)amino]propylcarbamic acid.
What is the SMILES notation for 3-[bis(2-hydroxyethyl)amino]propylcarbamic acid?
The canonical SMILES for 3-[bis(2-hydroxyethyl)amino]propylcarbamic acid is O=C(O)NCCCN(CCO)CCO.
What is the InChIKey of 3-[bis(2-hydroxyethyl)amino]propylcarbamic acid?
The InChIKey is KOFCSAFCIZONKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O4/c11-6-4-10(5-7-12)3-1-2-9-8(13)14/h9,11-12H,1-7H2,(H,13,14).
What are the key properties of 3-[bis(2-hydroxyethyl)amino]propylcarbamic acid?
3-[bis(2-hydroxyethyl)amino]propylcarbamic acid has a molecular weight of 206.24 g/mol, XLogP of -1.07, 8 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[bis(2-hydroxyethyl)amino]propylcarbamic acid is sourced from PubChem (CID 19088424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).