1-[2-[2-[bis(2-hydroxypropyl)amino]ethyl-methylamino]ethylamino]propan-2-ol

C14H33N3O3 — CID 118243560

IUPAC1-[2-[2-[bis(2-hydroxypropyl)amino]ethyl-methylamino]ethylamino]propan-2-ol
SMILESCC(O)CNCCN(C)CCN(CC(C)O)CC(C)O
InChIInChI=1S/C14H33N3O3/c1-12(18)9-15-5-6-16(4)7-8-17(10-13(2)19)11-14(3)20/h12-15,18-20H,5-11H2,1-4H3
InChIKeyXSRDAAHJMOGRQG-UHFFFAOYSA-N
MW291.44 g/mol
LogP-1.05
Rot. Bonds12

About 1-[2-[2-[bis(2-hydroxypropyl)amino]ethyl-methylamino]ethylamino]propan-2-ol

1-[2-[2-[bis(2-hydroxypropyl)amino]ethyl-methylamino]ethylamino]propan-2-ol (PubChem CID 118243560) has the molecular formula C14H33N3O3 and a molecular weight of 291.44 g/mol. Its IUPAC name is 1-[2-[2-[bis(2-hydroxypropyl)amino]ethyl-methylamino]ethylamino]propan-2-ol.

Molecular Properties

Compound Name1-[2-[2-[bis(2-hydroxypropyl)amino]ethyl-methylamino]ethylamino]propan-2-ol
PubChem CID118243560
Molecular FormulaC14H33N3O3
Molecular Weight291.44 g/mol
Exact Mass291.25
IUPAC Name1-[2-[2-[bis(2-hydroxypropyl)amino]ethyl-methylamino]ethylamino]propan-2-ol
SMILESCC(O)CNCCN(C)CCN(CC(C)O)CC(C)O
InChIInChI=1S/C14H33N3O3/c1-12(18)9-15-5-6-16(4)7-8-17(10-13(2)19)11-14(3)20/h12-15,18-20H,5-11H2,1-4H3
InChIKeyXSRDAAHJMOGRQG-UHFFFAOYSA-N
XLogP-1.05
TPSA79.20 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 5-1.05
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-(2-aminoethylamino)propan-2-ol;1-[2-[bis(2-hydroxypropyl)amino]ethyl-(2-hydroxypropyl)amino]propan-2-ol
CID 19893086
1-[(2-hydroxy-4,4-dimethylpentyl)-[2-[2-[(2-hydroxy-3-methylbutyl)amino]ethyl-methylamino]ethyl]amino]-4,4-dimethylpentan-2-ol
CID 90865599
6-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-aminoethylamino)ethyl-[2-[2-[bis(2-hydroxypropyl)amino]ethyl-(2-hydroxypropyl)amino]ethyl]amino]ethyl-(2-hydroxypropyl)amino]ethyl-[2-[2-[bis(2-hydroxypropyl)amino]ethyl-(2-hydroxypropyl)amino]ethyl]amino]ethyl-[2-[2-[2-[2-[2-[bis(2-hydroxypropyl)amino]ethyl-[2-[2-[bis(2-hydroxypropyl)amino]ethyl-(2-hydroxypropyl)amino]ethyl]amino]ethyl-(2-hydroxypropyl)amino]ethyl-[2-(2-hydroxypropylamino)ethyl]amino]ethyl-(2-hydroxypropyl)amino]ethyl]amino]ethyl-(2-hydroxypropyl)amino]ethyl-(2-hydroxypropyl)amino]ethyl-(2-hydroxypropyl)amino]ethyl-(2-hydroxypropyl)amino]ethyl-[2-[bis(2-hydroxypropyl)amino]ethyl]amino]ethyl-(2-hydroxypropyl)amino]ethyl-(2-hydroxypropyl)amino]ethyl-[2-[bis(2-hydroxypropyl)amino]ethyl]amino]hexan-2-ol
CID 146752461
N,N,N'-trimethyl-N'-[2-(2-methylpropylamino)ethyl]propane-1,3-diamine
CID 63725817
1-[3-(dimethylamino)propyl-[(2R)-2-hydroxypropyl]amino]propan-2-ol
CID 87581413
1-[2-(dipropylamino)ethyl-(2-hydroxypropyl)amino]propan-2-ol
CID 19890051
N'-[2-(dimethylamino)ethyl]-N'-methyl-N-(4-methylpentyl)ethane-1,2-diamine
CID 63727214
(2S)-1-[2-[2-[ethyl-[(4-ethynylphenyl)methyl]amino]ethyl-[(2S)-2-hydroxypropyl]amino]ethylamino]propan-2-ol
CID 167191005
(2S)-1-[2-hydroxyethyl-[(2R)-2-hydroxypropyl]amino]propan-2-ol
CID 6950665
2-[bis(2-hydroxyethyl)amino]ethanol;1-(2-hydroxypropylamino)propan-2-ol
CID 22218619
1-[methyl-[2-(methylamino)ethyl]amino]propan-2-ol
CID 62337944
(2R)-1-[methyl-[2-(methylamino)ethyl]amino]propan-2-ol
CID 103668529

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-[bis(2-hydroxypropyl)amino]ethyl-methylamino]ethylamino]propan-2-ol?
The IUPAC name of 1-[2-[2-[bis(2-hydroxypropyl)amino]ethyl-methylamino]ethylamino]propan-2-ol (CID 118243560) is 1-[2-[2-[bis(2-hydroxypropyl)amino]ethyl-methylamino]ethylamino]propan-2-ol.
What is the SMILES notation for 1-[2-[2-[bis(2-hydroxypropyl)amino]ethyl-methylamino]ethylamino]propan-2-ol?
The canonical SMILES for 1-[2-[2-[bis(2-hydroxypropyl)amino]ethyl-methylamino]ethylamino]propan-2-ol is CC(O)CNCCN(C)CCN(CC(C)O)CC(C)O.
What is the InChIKey of 1-[2-[2-[bis(2-hydroxypropyl)amino]ethyl-methylamino]ethylamino]propan-2-ol?
The InChIKey is XSRDAAHJMOGRQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H33N3O3/c1-12(18)9-15-5-6-16(4)7-8-17(10-13(2)19)11-14(3)20/h12-15,18-20H,5-11H2,1-4H3.
What are the key properties of 1-[2-[2-[bis(2-hydroxypropyl)amino]ethyl-methylamino]ethylamino]propan-2-ol?
1-[2-[2-[bis(2-hydroxypropyl)amino]ethyl-methylamino]ethylamino]propan-2-ol has a molecular weight of 291.44 g/mol, XLogP of -1.05, 12 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-[bis(2-hydroxypropyl)amino]ethyl-methylamino]ethylamino]propan-2-ol is sourced from PubChem (CID 118243560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).