2-[2-(2-aminoethylamino)ethylamino]-2-butoxyethanol

C10H25N3O2 — CID 87840812

IUPAC2-[2-(2-aminoethylamino)ethylamino]-2-butoxyethanol
SMILESCCCCOC(CO)NCCNCCN
InChIInChI=1S/C10H25N3O2/c1-2-3-8-15-10(9-14)13-7-6-12-5-4-11/h10,12-14H,2-9,11H2,1H3
InChIKeyCGUGFVSTEIDNBF-UHFFFAOYSA-N
MW219.33 g/mol
LogP-0.74
Rot. Bonds11

About 2-[2-(2-aminoethylamino)ethylamino]-2-butoxyethanol

2-[2-(2-aminoethylamino)ethylamino]-2-butoxyethanol (PubChem CID 87840812) has the molecular formula C10H25N3O2 and a molecular weight of 219.33 g/mol. Its IUPAC name is 2-[2-(2-aminoethylamino)ethylamino]-2-butoxyethanol.

Molecular Properties

Compound Name2-[2-(2-aminoethylamino)ethylamino]-2-butoxyethanol
PubChem CID87840812
Molecular FormulaC10H25N3O2
Molecular Weight219.33 g/mol
Exact Mass219.19
IUPAC Name2-[2-(2-aminoethylamino)ethylamino]-2-butoxyethanol
SMILESCCCCOC(CO)NCCNCCN
InChIInChI=1S/C10H25N3O2/c1-2-3-8-15-10(9-14)13-7-6-12-5-4-11/h10,12-14H,2-9,11H2,1H3
InChIKeyCGUGFVSTEIDNBF-UHFFFAOYSA-N
XLogP-0.74
TPSA79.54 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 5-0.74
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(2-aminoethylamino)-2-ethoxyethanol
CID 22141723
2-(2-butoxyethylamino)-2-(2-hydroxyethoxy)ethanol
CID 18945936
N'-(1-tridecoxypropyl)propane-1,3-diamine
CID 22412585
N'-[2-(2-aminoethylamino)ethyl]ethane-1,2-diamine;hexan-1-amine
CID 87602895
N'-[2-[2-[2-(propan-2-ylamino)ethylamino]ethylamino]ethyl]ethane-1,2-diamine
CID 87748300
N'-[2-(hexatriacontylamino)ethyl]ethane-1,2-diamine
CID 88704371
N'-[2-[2-[2-[2-[2-(butan-2-ylamino)ethylamino]ethylamino]ethylamino]ethylamino]ethyl]ethane-1,2-diamine
CID 130342854
3-[2-(2-aminoethylamino)ethylamino]butane-1,2,4-triol
CID 15327768
1-decoxy-N-propylpropan-1-amine
CID 173331192
N-butyl-1-pentoxybutan-1-amine
CID 88850312
1-N-(2-aminoethyl)-1-N'-[2-(2-aminoethylamino)ethyl]ethane-1,1-diamine
CID 18468827
(2R)-1-(2-aminoethylamino)-3-butoxypropan-2-ol
CID 92574092

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-aminoethylamino)ethylamino]-2-butoxyethanol?
The IUPAC name of 2-[2-(2-aminoethylamino)ethylamino]-2-butoxyethanol (CID 87840812) is 2-[2-(2-aminoethylamino)ethylamino]-2-butoxyethanol.
What is the SMILES notation for 2-[2-(2-aminoethylamino)ethylamino]-2-butoxyethanol?
The canonical SMILES for 2-[2-(2-aminoethylamino)ethylamino]-2-butoxyethanol is CCCCOC(CO)NCCNCCN.
What is the InChIKey of 2-[2-(2-aminoethylamino)ethylamino]-2-butoxyethanol?
The InChIKey is CGUGFVSTEIDNBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H25N3O2/c1-2-3-8-15-10(9-14)13-7-6-12-5-4-11/h10,12-14H,2-9,11H2,1H3.
What are the key properties of 2-[2-(2-aminoethylamino)ethylamino]-2-butoxyethanol?
2-[2-(2-aminoethylamino)ethylamino]-2-butoxyethanol has a molecular weight of 219.33 g/mol, XLogP of -0.74, 11 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-aminoethylamino)ethylamino]-2-butoxyethanol is sourced from PubChem (CID 87840812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).