2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]butanamide

C11H23N3O — CID 62900480

IUPAC2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]butanamide
SMILESCCC(C(N)=O)N1CCCC1CN(C)C
InChIInChI=1S/C11H23N3O/c1-4-10(11(12)15)14-7-5-6-9(14)8-13(2)3/h9-10H,4-8H2,1-3H3,(H2,12,15)
InChIKeyFTAQOBMPPFHIQC-UHFFFAOYSA-N
MW213.32 g/mol
LogP0.28
Rot. Bonds5

About 2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]butanamide

2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]butanamide (PubChem CID 62900480) has the molecular formula C11H23N3O and a molecular weight of 213.32 g/mol. Its IUPAC name is 2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]butanamide.

Molecular Properties

Compound Name2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]butanamide
PubChem CID62900480
Molecular FormulaC11H23N3O
Molecular Weight213.32 g/mol
Exact Mass213.18
IUPAC Name2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]butanamide
SMILESCCC(C(N)=O)N1CCCC1CN(C)C
InChIInChI=1S/C11H23N3O/c1-4-10(11(12)15)14-7-5-6-9(14)8-13(2)3/h9-10H,4-8H2,1-3H3,(H2,12,15)
InChIKeyFTAQOBMPPFHIQC-UHFFFAOYSA-N
XLogP0.28
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 50.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-(2-propylpyrrolidin-1-yl)butanamide
CID 154632136
2-(2-ethylazepan-1-yl)butanamide
CID 104691437
2-[1-(1-amino-1-oxobutan-2-yl)piperidin-2-yl]acetic acid
CID 62900440
ethyl 3-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]butanoate
CID 55128089
2-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]butanamide
CID 66057242
3-[1-(1-amino-1-oxobutan-2-yl)piperidin-2-yl]propanoic acid
CID 62901019
3-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]butan-2-one
CID 62889835
2-[2-[(tert-butylamino)methyl]piperidin-1-yl]butanamide
CID 55256655
(2S)-2-[(2R)-2-[(2R)-1-propanoylpyrrolidin-2-yl]pyrrolidin-1-yl]butanamide
CID 100843979
2-[2-(2-hydroxy-2-phenylethyl)pyrrolidin-1-yl]butanamide
CID 111490203
3-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-N'-hydroxybutanimidamide
CID 76975863
2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-3-methylbutanehydrazide
CID 63573193

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]butanamide?
The IUPAC name of 2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]butanamide (CID 62900480) is 2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]butanamide.
What is the SMILES notation for 2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]butanamide?
The canonical SMILES for 2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]butanamide is CCC(C(N)=O)N1CCCC1CN(C)C.
What is the InChIKey of 2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]butanamide?
The InChIKey is FTAQOBMPPFHIQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O/c1-4-10(11(12)15)14-7-5-6-9(14)8-13(2)3/h9-10H,4-8H2,1-3H3,(H2,12,15).
What are the key properties of 2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]butanamide?
2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]butanamide has a molecular weight of 213.32 g/mol, XLogP of 0.28, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]butanamide is sourced from PubChem (CID 62900480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).