N-methyl-4-[(1-methylpyrrolidin-3-yl)amino]butanamide

C10H21N3O — CID 63892267

IUPACN-methyl-4-[(1-methylpyrrolidin-3-yl)amino]butanamide
SMILESCNC(=O)CCCNC1CCN(C)C1
InChIInChI=1S/C10H21N3O/c1-11-10(14)4-3-6-12-9-5-7-13(2)8-9/h9,12H,3-8H2,1-2H3,(H,11,14)
InChIKeyDSSXWUACGAUBNF-UHFFFAOYSA-N
MW199.30 g/mol
LogP-0.19
Rot. Bonds5

About N-methyl-4-[(1-methylpyrrolidin-3-yl)amino]butanamide

N-methyl-4-[(1-methylpyrrolidin-3-yl)amino]butanamide (PubChem CID 63892267) has the molecular formula C10H21N3O and a molecular weight of 199.30 g/mol. Its IUPAC name is N-methyl-4-[(1-methylpyrrolidin-3-yl)amino]butanamide.

Molecular Properties

Compound NameN-methyl-4-[(1-methylpyrrolidin-3-yl)amino]butanamide
PubChem CID63892267
Molecular FormulaC10H21N3O
Molecular Weight199.30 g/mol
Exact Mass199.17
IUPAC NameN-methyl-4-[(1-methylpyrrolidin-3-yl)amino]butanamide
SMILESCNC(=O)CCCNC1CCN(C)C1
InChIInChI=1S/C10H21N3O/c1-11-10(14)4-3-6-12-9-5-7-13(2)8-9/h9,12H,3-8H2,1-2H3,(H,11,14)
InChIKeyDSSXWUACGAUBNF-UHFFFAOYSA-N
XLogP-0.19
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.30
LogP ≤ 5-0.19
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

N-methyl-4-[(1-methylpiperidin-3-yl)methylamino]butanamide
CID 63892274
N-hexyl-1-methylpyrrolidin-3-amine
CID 61462127
(3S)-N-heptyl-1-methylpyrrolidin-3-amine
CID 143197817
4-hydroxy-N-(1-methylpyrrolidin-3-yl)butanamide
CID 79192658
5-[(1-methylpyrrolidin-3-yl)amino]-5-oxopentanoic acid
CID 61462313
N-methyl-4-[4-(methylamino)piperidin-1-yl]butanamide
CID 63891147
N-(3-cyclopentylpropyl)-1-methylpyrrolidin-3-amine
CID 103748169
(3R)-1-methyl-N-propylpyrrolidin-3-amine
CID 93285609
N-methyl-2-[(1-methylpiperidin-4-yl)amino]acetamide
CID 43214516
N-(1-methylpyrrolidin-3-yl)-12-oxotridecanamide
CID 169229027
N,2,2-trimethyl-3-[(1-methylpyrrolidin-3-yl)amino]propanamide
CID 103824204
N-methyl-N'-(1-methylpiperidin-3-yl)propane-1,3-diamine
CID 115197757

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[(1-methylpyrrolidin-3-yl)amino]butanamide?
The IUPAC name of N-methyl-4-[(1-methylpyrrolidin-3-yl)amino]butanamide (CID 63892267) is N-methyl-4-[(1-methylpyrrolidin-3-yl)amino]butanamide.
What is the SMILES notation for N-methyl-4-[(1-methylpyrrolidin-3-yl)amino]butanamide?
The canonical SMILES for N-methyl-4-[(1-methylpyrrolidin-3-yl)amino]butanamide is CNC(=O)CCCNC1CCN(C)C1.
What is the InChIKey of N-methyl-4-[(1-methylpyrrolidin-3-yl)amino]butanamide?
The InChIKey is DSSXWUACGAUBNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O/c1-11-10(14)4-3-6-12-9-5-7-13(2)8-9/h9,12H,3-8H2,1-2H3,(H,11,14).
What are the key properties of N-methyl-4-[(1-methylpyrrolidin-3-yl)amino]butanamide?
N-methyl-4-[(1-methylpyrrolidin-3-yl)amino]butanamide has a molecular weight of 199.30 g/mol, XLogP of -0.19, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[(1-methylpyrrolidin-3-yl)amino]butanamide is sourced from PubChem (CID 63892267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).