2-[(3-methoxypropylamino)methyl]butanamide

C9H20N2O2 — CID 71433398

IUPAC2-[(3-methoxypropylamino)methyl]butanamide
SMILESCCC(CNCCCOC)C(N)=O
InChIInChI=1S/C9H20N2O2/c1-3-8(9(10)12)7-11-5-4-6-13-2/h8,11H,3-7H2,1-2H3,(H2,10,12)
InChIKeyBBFBYYBBUHXTHY-UHFFFAOYSA-N
MW188.27 g/mol
LogP0.12
Rot. Bonds8

About 2-[(3-methoxypropylamino)methyl]butanamide

2-[(3-methoxypropylamino)methyl]butanamide (PubChem CID 71433398) has the molecular formula C9H20N2O2 and a molecular weight of 188.27 g/mol. Its IUPAC name is 2-[(3-methoxypropylamino)methyl]butanamide.

Molecular Properties

Compound Name2-[(3-methoxypropylamino)methyl]butanamide
PubChem CID71433398
Molecular FormulaC9H20N2O2
Molecular Weight188.27 g/mol
Exact Mass188.15
IUPAC Name2-[(3-methoxypropylamino)methyl]butanamide
SMILESCCC(CNCCCOC)C(N)=O
InChIInChI=1S/C9H20N2O2/c1-3-8(9(10)12)7-11-5-4-6-13-2/h8,11H,3-7H2,1-2H3,(H2,10,12)
InChIKeyBBFBYYBBUHXTHY-UHFFFAOYSA-N
XLogP0.12
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 50.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[(3-hydroxypropoxymethylamino)methyl]butanamide
CID 163639510
2-hydroxy-3-(2-methoxyethylamino)propanamide
CID 106174482
2-(3-methoxypropoxy)butanamide
CID 62899538
2-ethyl-N-[3-(2-methoxyethoxy)propyl]butan-1-amine
CID 28720680
2-(2-methoxyethoxy)butanamide
CID 62900293
3-methoxypropylurea
CID 2064040
methyl 2-chloro-3-[3-(2-methoxyethoxy)propylamino]propanoate
CID 103491945
3-ethyl-1-[3-(2-methoxyethoxy)propylamino]pentan-2-ol
CID 106286221
2-ethyl-5-[[N'-(3-methoxypropoxymethyl)carbamimidoyl]amino]pentanamide
CID 163605177
2-[2-(2-methoxyethoxy)ethoxy]-N-(3-methoxypropyl)propan-1-amine
CID 104567209
2-ethyl-8-(2-hydroxyhexylamino)octanamide
CID 88760259
methyl 2-[(3,3-dimethylbutylamino)methyl]butanoate
CID 115253205

Frequently Asked Questions

What is the IUPAC name of 2-[(3-methoxypropylamino)methyl]butanamide?
The IUPAC name of 2-[(3-methoxypropylamino)methyl]butanamide (CID 71433398) is 2-[(3-methoxypropylamino)methyl]butanamide.
What is the SMILES notation for 2-[(3-methoxypropylamino)methyl]butanamide?
The canonical SMILES for 2-[(3-methoxypropylamino)methyl]butanamide is CCC(CNCCCOC)C(N)=O.
What is the InChIKey of 2-[(3-methoxypropylamino)methyl]butanamide?
The InChIKey is BBFBYYBBUHXTHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O2/c1-3-8(9(10)12)7-11-5-4-6-13-2/h8,11H,3-7H2,1-2H3,(H2,10,12).
What are the key properties of 2-[(3-methoxypropylamino)methyl]butanamide?
2-[(3-methoxypropylamino)methyl]butanamide has a molecular weight of 188.27 g/mol, XLogP of 0.12, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-methoxypropylamino)methyl]butanamide is sourced from PubChem (CID 71433398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).