[3-[2-[bis(2-aminoethyl)amino]ethylamino]-3-hydroxypropyl]carbamic acid

C10H25N5O3 — CID 173493038

IUPAC[3-[2-[bis(2-aminoethyl)amino]ethylamino]-3-hydroxypropyl]carbamic acid
SMILESNCCN(CCN)CCNC(O)CCNC(=O)O
InChIInChI=1S/C10H25N5O3/c11-2-6-15(7-3-12)8-5-13-9(16)1-4-14-10(17)18/h9,13-14,16H,1-8,11-12H2,(H,17,18)
InChIKeyXXKFKADZRISCRF-UHFFFAOYSA-N
MW263.34 g/mol
LogP-2.23
Rot. Bonds11

About [3-[2-[bis(2-aminoethyl)amino]ethylamino]-3-hydroxypropyl]carbamic acid

[3-[2-[bis(2-aminoethyl)amino]ethylamino]-3-hydroxypropyl]carbamic acid (PubChem CID 173493038) has the molecular formula C10H25N5O3 and a molecular weight of 263.34 g/mol. Its IUPAC name is [3-[2-[bis(2-aminoethyl)amino]ethylamino]-3-hydroxypropyl]carbamic acid.

Molecular Properties

Compound Name[3-[2-[bis(2-aminoethyl)amino]ethylamino]-3-hydroxypropyl]carbamic acid
PubChem CID173493038
Molecular FormulaC10H25N5O3
Molecular Weight263.34 g/mol
Exact Mass263.20
IUPAC Name[3-[2-[bis(2-aminoethyl)amino]ethylamino]-3-hydroxypropyl]carbamic acid
SMILESNCCN(CCN)CCNC(O)CCNC(=O)O
InChIInChI=1S/C10H25N5O3/c11-2-6-15(7-3-12)8-5-13-9(16)1-4-14-10(17)18/h9,13-14,16H,1-8,11-12H2,(H,17,18)
InChIKeyXXKFKADZRISCRF-UHFFFAOYSA-N
XLogP-2.23
TPSA136.87 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500263.34
LogP ≤ 5-2.23
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

[3-hydroxy-3-(3-methylbutylamino)propyl]carbamic acid
CID 91302836
2-aminoethylcarbamic acid;ethane-1,2-diamine
CID 173123668
2-amino-N-[2-[2-(2-aminododecanoylamino)ethyl-(2-aminoethyl)amino]ethyl]dodecanamide
CID 146653798
3-aminopropylcarbamic acid
CID 3023499
N-[2-[2-aminoethyl-[2-(hexanoylamino)ethyl]amino]ethyl]hexanamide
CID 53387315
3,3-bis(dimethylsilyl)propylcarbamic acid
CID 173292919
3-[bis(2-hydroxyethyl)amino]propylcarbamic acid
CID 19088424
(3-amino-4-hydroxybutyl)carbamic acid
CID 129243477
[3-hydroxy-3-[[4-(trifluoromethyl)phenyl]methylamino]propyl]carbamic acid
CID 68608708
acetic acid;2-[2-[2-aminoethyl(2-hydroxyethyl)amino]ethylamino]ethanol
CID 173116618
2-amino-N-[2-[bis[2-[(2-aminoacetyl)amino]ethyl]amino]ethyl]acetamide
CID 59349236
[4-hydroxy-3-(hydroxymethyl)butyl]carbamic acid
CID 87694263

Frequently Asked Questions

What is the IUPAC name of [3-[2-[bis(2-aminoethyl)amino]ethylamino]-3-hydroxypropyl]carbamic acid?
The IUPAC name of [3-[2-[bis(2-aminoethyl)amino]ethylamino]-3-hydroxypropyl]carbamic acid (CID 173493038) is [3-[2-[bis(2-aminoethyl)amino]ethylamino]-3-hydroxypropyl]carbamic acid.
What is the SMILES notation for [3-[2-[bis(2-aminoethyl)amino]ethylamino]-3-hydroxypropyl]carbamic acid?
The canonical SMILES for [3-[2-[bis(2-aminoethyl)amino]ethylamino]-3-hydroxypropyl]carbamic acid is NCCN(CCN)CCNC(O)CCNC(=O)O.
What is the InChIKey of [3-[2-[bis(2-aminoethyl)amino]ethylamino]-3-hydroxypropyl]carbamic acid?
The InChIKey is XXKFKADZRISCRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H25N5O3/c11-2-6-15(7-3-12)8-5-13-9(16)1-4-14-10(17)18/h9,13-14,16H,1-8,11-12H2,(H,17,18).
What are the key properties of [3-[2-[bis(2-aminoethyl)amino]ethylamino]-3-hydroxypropyl]carbamic acid?
[3-[2-[bis(2-aminoethyl)amino]ethylamino]-3-hydroxypropyl]carbamic acid has a molecular weight of 263.34 g/mol, XLogP of -2.23, 11 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[2-[bis(2-aminoethyl)amino]ethylamino]-3-hydroxypropyl]carbamic acid is sourced from PubChem (CID 173493038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).