N-(3-methylbutyl)-2-[(1-methylpyrrolidin-3-yl)methylamino]acetamide

C13H27N3O — CID 54956799

IUPACN-(3-methylbutyl)-2-[(1-methylpyrrolidin-3-yl)methylamino]acetamide
SMILESCC(C)CCNC(=O)CNCC1CCN(C)C1
InChIInChI=1S/C13H27N3O/c1-11(2)4-6-15-13(17)9-14-8-12-5-7-16(3)10-12/h11-12,14H,4-10H2,1-3H3,(H,15,17)
InChIKeyXHYROHMZAVHNHX-UHFFFAOYSA-N
MW241.38 g/mol
LogP0.69
Rot. Bonds7

About N-(3-methylbutyl)-2-[(1-methylpyrrolidin-3-yl)methylamino]acetamide

N-(3-methylbutyl)-2-[(1-methylpyrrolidin-3-yl)methylamino]acetamide (PubChem CID 54956799) has the molecular formula C13H27N3O and a molecular weight of 241.38 g/mol. Its IUPAC name is N-(3-methylbutyl)-2-[(1-methylpyrrolidin-3-yl)methylamino]acetamide.

Molecular Properties

Compound NameN-(3-methylbutyl)-2-[(1-methylpyrrolidin-3-yl)methylamino]acetamide
PubChem CID54956799
Molecular FormulaC13H27N3O
Molecular Weight241.38 g/mol
Exact Mass241.22
IUPAC NameN-(3-methylbutyl)-2-[(1-methylpyrrolidin-3-yl)methylamino]acetamide
SMILESCC(C)CCNC(=O)CNCC1CCN(C)C1
InChIInChI=1S/C13H27N3O/c1-11(2)4-6-15-13(17)9-14-8-12-5-7-16(3)10-12/h11-12,14H,4-10H2,1-3H3,(H,15,17)
InChIKeyXHYROHMZAVHNHX-UHFFFAOYSA-N
XLogP0.69
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.38
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-(3-methylbutyl)-2-[(1-methylpyrrolidin-3-yl)methylamino]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3-methylbutyl)-2-[(1-methylpyrrolidin-3-yl)methylamino]propanamide
CID 60854910
N-(3-methylbutyl)-2-[(2-methylcyclopentyl)methylamino]acetamide
CID 107418064
N-tert-butyl-2-[(1-methylpyrrolidin-3-yl)methylamino]acetamide
CID 60856288
N-(3-methylbutyl)-2-(oxolan-2-ylmethylamino)acetamide
CID 60671403
2-(cyclopropylmethylamino)-N-[(1-methylpiperidin-4-yl)methyl]acetamide;dihydrochloride
CID 119866901
2-[(1,4-dimethylpiperidin-4-yl)methylamino]-N-(3-methylbutyl)acetamide
CID 107163609
N,N'-bis[(1-methylpyrrolidin-3-yl)methyl]-3-oxopentanediamide
CID 20664945
(2S)-2-amino-N-[(1-methylpyrrolidin-3-yl)methyl]propanamide
CID 61146973
N-cyclopropyl-3-[[2-(3-methylbutylamino)-2-oxoethyl]amino]propanamide
CID 79394037
4-[(1-methylpyrrolidin-3-yl)methylamino]butan-2-one
CID 115235752
N-(3-methylbutyl)-2-[3-(2-methylpiperidin-1-yl)propylamino]acetamide
CID 60673190
3-methyl-5-[(1-methylpyrrolidin-3-yl)methylamino]-5-oxopentanoic acid
CID 55155029

Frequently Asked Questions

What is the IUPAC name of N-(3-methylbutyl)-2-[(1-methylpyrrolidin-3-yl)methylamino]acetamide?
The IUPAC name of N-(3-methylbutyl)-2-[(1-methylpyrrolidin-3-yl)methylamino]acetamide (CID 54956799) is N-(3-methylbutyl)-2-[(1-methylpyrrolidin-3-yl)methylamino]acetamide.
What is the SMILES notation for N-(3-methylbutyl)-2-[(1-methylpyrrolidin-3-yl)methylamino]acetamide?
The canonical SMILES for N-(3-methylbutyl)-2-[(1-methylpyrrolidin-3-yl)methylamino]acetamide is CC(C)CCNC(=O)CNCC1CCN(C)C1.
What is the InChIKey of N-(3-methylbutyl)-2-[(1-methylpyrrolidin-3-yl)methylamino]acetamide?
The InChIKey is XHYROHMZAVHNHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O/c1-11(2)4-6-15-13(17)9-14-8-12-5-7-16(3)10-12/h11-12,14H,4-10H2,1-3H3,(H,15,17).
What are the key properties of N-(3-methylbutyl)-2-[(1-methylpyrrolidin-3-yl)methylamino]acetamide?
N-(3-methylbutyl)-2-[(1-methylpyrrolidin-3-yl)methylamino]acetamide has a molecular weight of 241.38 g/mol, XLogP of 0.69, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylbutyl)-2-[(1-methylpyrrolidin-3-yl)methylamino]acetamide is sourced from PubChem (CID 54956799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).