4-(dimethylamino)-2-ethyl-1-(hydroxymethyliminomethylideneamino)butan-1-ol

C10H21N3O2 — CID 176891881

IUPAC4-(dimethylamino)-2-ethyl-1-(hydroxymethyliminomethylideneamino)butan-1-ol
SMILESCCC(CCN(C)C)C(O)N=C=NCO
InChIInChI=1S/C10H21N3O2/c1-4-9(5-6-13(2)3)10(15)12-7-11-8-14/h9-10,14-15H,4-6,8H2,1-3H3
InChIKeyLUNQAMNHPXXWHF-UHFFFAOYSA-N
MW215.30 g/mol
LogP0.41
Rot. Bonds7

About 4-(dimethylamino)-2-ethyl-1-(hydroxymethyliminomethylideneamino)butan-1-ol

4-(dimethylamino)-2-ethyl-1-(hydroxymethyliminomethylideneamino)butan-1-ol (PubChem CID 176891881) has the molecular formula C10H21N3O2 and a molecular weight of 215.30 g/mol. Its IUPAC name is 4-(dimethylamino)-2-ethyl-1-(hydroxymethyliminomethylideneamino)butan-1-ol.

Molecular Properties

Compound Name4-(dimethylamino)-2-ethyl-1-(hydroxymethyliminomethylideneamino)butan-1-ol
PubChem CID176891881
Molecular FormulaC10H21N3O2
Molecular Weight215.30 g/mol
Exact Mass215.16
IUPAC Name4-(dimethylamino)-2-ethyl-1-(hydroxymethyliminomethylideneamino)butan-1-ol
SMILESCCC(CCN(C)C)C(O)N=C=NCO
InChIInChI=1S/C10H21N3O2/c1-4-9(5-6-13(2)3)10(15)12-7-11-8-14/h9-10,14-15H,4-6,8H2,1-3H3
InChIKeyLUNQAMNHPXXWHF-UHFFFAOYSA-N
XLogP0.41
TPSA68.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 50.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(dimethylamino)-2-ethyl-1-(hydroxymethyliminomethylideneamino)butan-1-ol?
The IUPAC name of 4-(dimethylamino)-2-ethyl-1-(hydroxymethyliminomethylideneamino)butan-1-ol (CID 176891881) is 4-(dimethylamino)-2-ethyl-1-(hydroxymethyliminomethylideneamino)butan-1-ol.
What is the SMILES notation for 4-(dimethylamino)-2-ethyl-1-(hydroxymethyliminomethylideneamino)butan-1-ol?
The canonical SMILES for 4-(dimethylamino)-2-ethyl-1-(hydroxymethyliminomethylideneamino)butan-1-ol is CCC(CCN(C)C)C(O)N=C=NCO.
What is the InChIKey of 4-(dimethylamino)-2-ethyl-1-(hydroxymethyliminomethylideneamino)butan-1-ol?
The InChIKey is LUNQAMNHPXXWHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O2/c1-4-9(5-6-13(2)3)10(15)12-7-11-8-14/h9-10,14-15H,4-6,8H2,1-3H3.
What are the key properties of 4-(dimethylamino)-2-ethyl-1-(hydroxymethyliminomethylideneamino)butan-1-ol?
4-(dimethylamino)-2-ethyl-1-(hydroxymethyliminomethylideneamino)butan-1-ol has a molecular weight of 215.30 g/mol, XLogP of 0.41, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylamino)-2-ethyl-1-(hydroxymethyliminomethylideneamino)butan-1-ol is sourced from PubChem (CID 176891881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).