N-[4-(dimethylamino)butan-2-yl]-4-methylpyrrolidine-3-carboxamide

C12H25N3O — CID 63714179

IUPACN-[4-(dimethylamino)butan-2-yl]-4-methylpyrrolidine-3-carboxamide
SMILESCC(CCN(C)C)NC(=O)C1CNCC1C
InChIInChI=1S/C12H25N3O/c1-9-7-13-8-11(9)12(16)14-10(2)5-6-15(3)4/h9-11,13H,5-8H2,1-4H3,(H,14,16)
InChIKeyQINQRFGMXWSBTH-UHFFFAOYSA-N
MW227.35 g/mol
LogP0.30
Rot. Bonds5

About N-[4-(dimethylamino)butan-2-yl]-4-methylpyrrolidine-3-carboxamide

N-[4-(dimethylamino)butan-2-yl]-4-methylpyrrolidine-3-carboxamide (PubChem CID 63714179) has the molecular formula C12H25N3O and a molecular weight of 227.35 g/mol. Its IUPAC name is N-[4-(dimethylamino)butan-2-yl]-4-methylpyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[4-(dimethylamino)butan-2-yl]-4-methylpyrrolidine-3-carboxamide
PubChem CID63714179
Molecular FormulaC12H25N3O
Molecular Weight227.35 g/mol
Exact Mass227.20
IUPAC NameN-[4-(dimethylamino)butan-2-yl]-4-methylpyrrolidine-3-carboxamide
SMILESCC(CCN(C)C)NC(=O)C1CNCC1C
InChIInChI=1S/C12H25N3O/c1-9-7-13-8-11(9)12(16)14-10(2)5-6-15(3)4/h9-11,13H,5-8H2,1-4H3,(H,14,16)
InChIKeyQINQRFGMXWSBTH-UHFFFAOYSA-N
XLogP0.30
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 50.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-N-pentan-2-ylpyrrolidine-3-carboxamide
CID 63720958
N-(1-hydroxypropan-2-yl)-4-methylpyrrolidine-3-carboxamide
CID 63714919
(3S,4S)-N-(1-hydroxypropan-2-yl)-4-methylpyrrolidine-3-carboxamide;hydrochloride
CID 130719913
N-[(2S)-1-aminopropan-2-yl]-4-methylpyrrolidine-3-carboxamide
CID 130778578
4-methyl-N-octan-2-ylpyrrolidine-3-carboxamide
CID 63714459
N-(4-ethylsulfanylbutan-2-yl)-4-methylpyrrolidine-3-carboxamide
CID 115747672
N-[1-(diethylamino)propan-2-yl]-4-methylpyrrolidine-3-carboxamide
CID 63715172
(3S,4S)-N-[1-(dimethylamino)-4-methylpentan-2-yl]-4-methylpyrrolidine-3-carboxamide
CID 114084712
N-[1-(dimethylamino)-1-oxopropan-2-yl]-4-methylpyrrolidine-3-carboxamide
CID 63715088
5-amino-N-[4-(dimethylamino)butan-2-yl]-2-methylcyclohexane-1-carboxamide
CID 62782765
N-(3-ethylpentan-2-yl)-4-methylpyrrolidine-3-carboxamide
CID 63843859
N-(3,3-dimethylbutan-2-yl)-4-methylpyrrolidine-3-carboxamide
CID 115747511

Frequently Asked Questions

What is the IUPAC name of N-[4-(dimethylamino)butan-2-yl]-4-methylpyrrolidine-3-carboxamide?
The IUPAC name of N-[4-(dimethylamino)butan-2-yl]-4-methylpyrrolidine-3-carboxamide (CID 63714179) is N-[4-(dimethylamino)butan-2-yl]-4-methylpyrrolidine-3-carboxamide.
What is the SMILES notation for N-[4-(dimethylamino)butan-2-yl]-4-methylpyrrolidine-3-carboxamide?
The canonical SMILES for N-[4-(dimethylamino)butan-2-yl]-4-methylpyrrolidine-3-carboxamide is CC(CCN(C)C)NC(=O)C1CNCC1C.
What is the InChIKey of N-[4-(dimethylamino)butan-2-yl]-4-methylpyrrolidine-3-carboxamide?
The InChIKey is QINQRFGMXWSBTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O/c1-9-7-13-8-11(9)12(16)14-10(2)5-6-15(3)4/h9-11,13H,5-8H2,1-4H3,(H,14,16).
What are the key properties of N-[4-(dimethylamino)butan-2-yl]-4-methylpyrrolidine-3-carboxamide?
N-[4-(dimethylamino)butan-2-yl]-4-methylpyrrolidine-3-carboxamide has a molecular weight of 227.35 g/mol, XLogP of 0.30, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(dimethylamino)butan-2-yl]-4-methylpyrrolidine-3-carboxamide is sourced from PubChem (CID 63714179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).