4-amino-3-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-N,N-dimethylbutanamide

C13H28N4O — CID 66430640

IUPAC4-amino-3-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-N,N-dimethylbutanamide
SMILESCN(C)CC1CCCN1C(CN)CC(=O)N(C)C
InChIInChI=1S/C13H28N4O/c1-15(2)10-11-6-5-7-17(11)12(9-14)8-13(18)16(3)4/h11-12H,5-10,14H2,1-4H3
InChIKeyKGQQGNKDLMLTAF-UHFFFAOYSA-N
MW256.39 g/mol
LogP-0.18
Rot. Bonds6

About 4-amino-3-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-N,N-dimethylbutanamide

4-amino-3-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-N,N-dimethylbutanamide (PubChem CID 66430640) has the molecular formula C13H28N4O and a molecular weight of 256.39 g/mol. Its IUPAC name is 4-amino-3-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-N,N-dimethylbutanamide.

Molecular Properties

Compound Name4-amino-3-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-N,N-dimethylbutanamide
PubChem CID66430640
Molecular FormulaC13H28N4O
Molecular Weight256.39 g/mol
Exact Mass256.23
IUPAC Name4-amino-3-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-N,N-dimethylbutanamide
SMILESCN(C)CC1CCCN1C(CN)CC(=O)N(C)C
InChIInChI=1S/C13H28N4O/c1-15(2)10-11-6-5-7-17(11)12(9-14)8-13(18)16(3)4/h11-12H,5-10,14H2,1-4H3
InChIKeyKGQQGNKDLMLTAF-UHFFFAOYSA-N
XLogP-0.18
TPSA52.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 5-0.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-4-methylsulfanylbutan-1-amine
CID 62887144
4-amino-N,N-dimethyl-3-(4-propan-2-ylazepan-1-yl)butanamide
CID 66431049
ethyl 3-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]butanoate
CID 55128089
tert-butyl N-[4-amino-3-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]butyl]carbamate
CID 102730006
4-amino-N,N-dimethyl-3-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)butanamide
CID 79940703
3-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]butan-2-one
CID 62889835
2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]butanamide
CID 62900480
4-amino-3-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-N,N-dimethylbutanamide
CID 79314706
4-amino-3-(3-ethoxypiperidin-1-yl)-N,N-dimethylbutanamide
CID 66431044
3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-4-amino-N,N-dimethylbutanamide
CID 115559262
4-amino-N,N-dimethyl-3-(4-propan-2-ylpiperidin-1-yl)butanamide
CID 103494590
3-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-N'-hydroxybutanimidamide
CID 76975863

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-N,N-dimethylbutanamide?
The IUPAC name of 4-amino-3-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-N,N-dimethylbutanamide (CID 66430640) is 4-amino-3-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-N,N-dimethylbutanamide.
What is the SMILES notation for 4-amino-3-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-N,N-dimethylbutanamide?
The canonical SMILES for 4-amino-3-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-N,N-dimethylbutanamide is CN(C)CC1CCCN1C(CN)CC(=O)N(C)C.
What is the InChIKey of 4-amino-3-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-N,N-dimethylbutanamide?
The InChIKey is KGQQGNKDLMLTAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N4O/c1-15(2)10-11-6-5-7-17(11)12(9-14)8-13(18)16(3)4/h11-12H,5-10,14H2,1-4H3.
What are the key properties of 4-amino-3-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-N,N-dimethylbutanamide?
4-amino-3-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-N,N-dimethylbutanamide has a molecular weight of 256.39 g/mol, XLogP of -0.18, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-N,N-dimethylbutanamide is sourced from PubChem (CID 66430640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).