N-[3-(4-aminobutylamino)propyl]-2-methoxyacetamide;hydrochloride

C10H24ClN3O2 — CID 118721810

IUPACN-[3-(4-aminobutylamino)propyl]-2-methoxyacetamide;hydrochloride
SMILESCOCC(=O)NCCCNCCCCN.Cl
InChIInChI=1S/C10H23N3O2.ClH/c1-15-9-10(14)13-8-4-7-12-6-3-2-5-11;/h12H,2-9,11H2,1H3,(H,13,14);1H
InChIKeyOJMMOMBKOYHQMS-UHFFFAOYSA-N
MW253.77 g/mol
LogP-0.11
Rot. Bonds10

About N-[3-(4-aminobutylamino)propyl]-2-methoxyacetamide;hydrochloride

N-[3-(4-aminobutylamino)propyl]-2-methoxyacetamide;hydrochloride (PubChem CID 118721810) has the molecular formula C10H24ClN3O2 and a molecular weight of 253.77 g/mol. Its IUPAC name is N-[3-(4-aminobutylamino)propyl]-2-methoxyacetamide;hydrochloride.

Molecular Properties

Compound NameN-[3-(4-aminobutylamino)propyl]-2-methoxyacetamide;hydrochloride
PubChem CID118721810
Molecular FormulaC10H24ClN3O2
Molecular Weight253.77 g/mol
Exact Mass253.16
IUPAC NameN-[3-(4-aminobutylamino)propyl]-2-methoxyacetamide;hydrochloride
SMILESCOCC(=O)NCCCNCCCCN.Cl
InChIInChI=1S/C10H23N3O2.ClH/c1-15-9-10(14)13-8-4-7-12-6-3-2-5-11;/h12H,2-9,11H2,1H3,(H,13,14);1H
InChIKeyOJMMOMBKOYHQMS-UHFFFAOYSA-N
XLogP-0.11
TPSA76.38 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.77
LogP ≤ 5-0.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[3-(4-aminobutylamino)propyl]-2-methoxyacetamide;hydrochloride?
The IUPAC name of N-[3-(4-aminobutylamino)propyl]-2-methoxyacetamide;hydrochloride (CID 118721810) is N-[3-(4-aminobutylamino)propyl]-2-methoxyacetamide;hydrochloride.
What is the SMILES notation for N-[3-(4-aminobutylamino)propyl]-2-methoxyacetamide;hydrochloride?
The canonical SMILES for N-[3-(4-aminobutylamino)propyl]-2-methoxyacetamide;hydrochloride is COCC(=O)NCCCNCCCCN.Cl.
What is the InChIKey of N-[3-(4-aminobutylamino)propyl]-2-methoxyacetamide;hydrochloride?
The InChIKey is OJMMOMBKOYHQMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23N3O2.ClH/c1-15-9-10(14)13-8-4-7-12-6-3-2-5-11;/h12H,2-9,11H2,1H3,(H,13,14);1H.
What are the key properties of N-[3-(4-aminobutylamino)propyl]-2-methoxyacetamide;hydrochloride?
N-[3-(4-aminobutylamino)propyl]-2-methoxyacetamide;hydrochloride has a molecular weight of 253.77 g/mol, XLogP of -0.11, 10 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-aminobutylamino)propyl]-2-methoxyacetamide;hydrochloride is sourced from PubChem (CID 118721810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).