2-amino-3-[3-methoxypropyl(methyl)amino]propanamide

C8H19N3O2 — CID 63009708

IUPAC2-amino-3-[3-methoxypropyl(methyl)amino]propanamide
SMILESCOCCCN(C)CC(N)C(N)=O
InChIInChI=1S/C8H19N3O2/c1-11(4-3-5-13-2)6-7(9)8(10)12/h7H,3-6,9H2,1-2H3,(H2,10,12)
InChIKeyLXWJYGRDOFCXSL-UHFFFAOYSA-N
MW189.26 g/mol
LogP-1.23
Rot. Bonds7

About 2-amino-3-[3-methoxypropyl(methyl)amino]propanamide

2-amino-3-[3-methoxypropyl(methyl)amino]propanamide (PubChem CID 63009708) has the molecular formula C8H19N3O2 and a molecular weight of 189.26 g/mol. Its IUPAC name is 2-amino-3-[3-methoxypropyl(methyl)amino]propanamide.

Molecular Properties

Compound Name2-amino-3-[3-methoxypropyl(methyl)amino]propanamide
PubChem CID63009708
Molecular FormulaC8H19N3O2
Molecular Weight189.26 g/mol
Exact Mass189.15
IUPAC Name2-amino-3-[3-methoxypropyl(methyl)amino]propanamide
SMILESCOCCCN(C)CC(N)C(N)=O
InChIInChI=1S/C8H19N3O2/c1-11(4-3-5-13-2)6-7(9)8(10)12/h7H,3-6,9H2,1-2H3,(H2,10,12)
InChIKeyLXWJYGRDOFCXSL-UHFFFAOYSA-N
XLogP-1.23
TPSA81.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 5-1.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-amino-3-[methyl(2-propan-2-yloxyethyl)amino]propanamide
CID 81062306
2-amino-4-[2-methoxyethyl(3-methoxypropyl)amino]butanamide
CID 63055708
3-[3-methoxypropyl(methyl)amino]-2-(propan-2-ylamino)propanoic acid
CID 63009526
2-amino-5-methoxy-N-(3-methoxypropyl)-N-methylpentanamide
CID 81088448
2-amino-3-[3-methoxypropyl(methyl)amino]propanenitrile
CID 63010066
(2S)-2-amino-N-(3-methoxypropyl)-N-methylbutanamide
CID 79023136
2-amino-N-(3-methoxypropyl)-N-methylbutanamide
CID 63010217
2-amino-N-(3-methoxypropyl)-N-methylpropanamide
CID 63010028
2-amino-4-[bis(2-methoxyethyl)amino]butanamide
CID 63053778
(2S,3S)-2-amino-N-(3-methoxypropyl)-N,3-dimethylpentanamide
CID 63009481
1-cyclohexyl-N'-(3-methoxypropyl)-N'-methylethane-1,2-diamine
CID 104746059
4-[3-methoxypropyl(methyl)amino]butanethioamide
CID 62986050

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-[3-methoxypropyl(methyl)amino]propanamide?
The IUPAC name of 2-amino-3-[3-methoxypropyl(methyl)amino]propanamide (CID 63009708) is 2-amino-3-[3-methoxypropyl(methyl)amino]propanamide.
What is the SMILES notation for 2-amino-3-[3-methoxypropyl(methyl)amino]propanamide?
The canonical SMILES for 2-amino-3-[3-methoxypropyl(methyl)amino]propanamide is COCCCN(C)CC(N)C(N)=O.
What is the InChIKey of 2-amino-3-[3-methoxypropyl(methyl)amino]propanamide?
The InChIKey is LXWJYGRDOFCXSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19N3O2/c1-11(4-3-5-13-2)6-7(9)8(10)12/h7H,3-6,9H2,1-2H3,(H2,10,12).
What are the key properties of 2-amino-3-[3-methoxypropyl(methyl)amino]propanamide?
2-amino-3-[3-methoxypropyl(methyl)amino]propanamide has a molecular weight of 189.26 g/mol, XLogP of -1.23, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-[3-methoxypropyl(methyl)amino]propanamide is sourced from PubChem (CID 63009708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).