3-(2-aminoethylamino)-2,2-bis[(2-aminoethylamino)methyl]propan-1-ol

C11H30N6O — CID 102149017

IUPAC3-(2-aminoethylamino)-2,2-bis[(2-aminoethylamino)methyl]propan-1-ol
SMILESNCCNCC(CO)(CNCCN)CNCCN
InChIInChI=1S/C11H30N6O/c12-1-4-15-7-11(10-18,8-16-5-2-13)9-17-6-3-14/h15-18H,1-10,12-14H2
InChIKeyBHVMYLSSUMJVMO-UHFFFAOYSA-N
MW262.40 g/mol
LogP-3.39
Rot. Bonds13

About 3-(2-aminoethylamino)-2,2-bis[(2-aminoethylamino)methyl]propan-1-ol

3-(2-aminoethylamino)-2,2-bis[(2-aminoethylamino)methyl]propan-1-ol (PubChem CID 102149017) has the molecular formula C11H30N6O and a molecular weight of 262.40 g/mol. Its IUPAC name is 3-(2-aminoethylamino)-2,2-bis[(2-aminoethylamino)methyl]propan-1-ol.

Molecular Properties

Compound Name3-(2-aminoethylamino)-2,2-bis[(2-aminoethylamino)methyl]propan-1-ol
PubChem CID102149017
Molecular FormulaC11H30N6O
Molecular Weight262.40 g/mol
Exact Mass262.25
IUPAC Name3-(2-aminoethylamino)-2,2-bis[(2-aminoethylamino)methyl]propan-1-ol
SMILESNCCNCC(CO)(CNCCN)CNCCN
InChIInChI=1S/C11H30N6O/c12-1-4-15-7-11(10-18,8-16-5-2-13)9-17-6-3-14/h15-18H,1-10,12-14H2
InChIKeyBHVMYLSSUMJVMO-UHFFFAOYSA-N
XLogP-3.39
TPSA134.38 Ų
H-Bond Donors7
H-Bond Acceptors7
Rotatable Bonds13
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500262.40
LogP ≤ 5-3.39
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

2-[(2-aminoethylamino)methyl]-2-methylbutan-1-ol
CID 81418901
2-(hydroxymethyl)-2-[(octadecylamino)methyl]propane-1,3-diol
CID 87300700
N'-(2,2-dimethylpropyl)ethane-1,2-diamine
CID 61168060
2-ethyl-2-[(nonylamino)methyl]butan-1-ol
CID 114164917
2-aminoethanol;2,2-bis(hydroxymethyl)propane-1,3-diol
CID 174799248
bis(N'-(2-aminoethyl)ethane-1,2-diamine);antimony(5+);dysprosium(3+);tetrasulfide
CID 139196463
tris(2-(2-aminoethylamino)ethanol);titanium
CID 172707183
N'-[2-(2-aminoethylamino)ethyl]ethane-1,2-diamine;2-(2-hydroxyethylamino)ethanol
CID 19827531
N'-[2-[2-[2-(2-aminoethylamino)ethylamino]ethylamino]ethyl]ethane-1,2-diamine;N'-[2-[2-(2-aminoethylamino)ethylamino]ethyl]ethane-1,2-diamine;N'-[2-(2-aminoethylamino)ethyl]ethane-1,2-diamine;N'-(2-aminoethyl)ethane-1,2-diamine
CID 159410169
N'-[2-(2-aminoethylamino)ethyl]ethane-1,2-diamine
CID 5565
ethyl 4-[[2-ethyl-2-(hydroxymethyl)butyl]amino]butanoate
CID 81418963
4-[[2-ethyl-2-(hydroxymethyl)butyl]amino]-N'-hydroxy-2,2-dimethylbutanimidamide
CID 106256717

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminoethylamino)-2,2-bis[(2-aminoethylamino)methyl]propan-1-ol?
The IUPAC name of 3-(2-aminoethylamino)-2,2-bis[(2-aminoethylamino)methyl]propan-1-ol (CID 102149017) is 3-(2-aminoethylamino)-2,2-bis[(2-aminoethylamino)methyl]propan-1-ol.
What is the SMILES notation for 3-(2-aminoethylamino)-2,2-bis[(2-aminoethylamino)methyl]propan-1-ol?
The canonical SMILES for 3-(2-aminoethylamino)-2,2-bis[(2-aminoethylamino)methyl]propan-1-ol is NCCNCC(CO)(CNCCN)CNCCN.
What is the InChIKey of 3-(2-aminoethylamino)-2,2-bis[(2-aminoethylamino)methyl]propan-1-ol?
The InChIKey is BHVMYLSSUMJVMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H30N6O/c12-1-4-15-7-11(10-18,8-16-5-2-13)9-17-6-3-14/h15-18H,1-10,12-14H2.
What are the key properties of 3-(2-aminoethylamino)-2,2-bis[(2-aminoethylamino)methyl]propan-1-ol?
3-(2-aminoethylamino)-2,2-bis[(2-aminoethylamino)methyl]propan-1-ol has a molecular weight of 262.40 g/mol, XLogP of -3.39, 13 rotatable bonds, 7 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminoethylamino)-2,2-bis[(2-aminoethylamino)methyl]propan-1-ol is sourced from PubChem (CID 102149017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).