4-amino-N-methyl-3-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]butanamide

C12H26N4O — CID 79303980

IUPAC4-amino-N-methyl-3-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]butanamide
SMILESCNC(=O)CC(CN)N(C)CC1CCCN1C
InChIInChI=1S/C12H26N4O/c1-14-12(17)7-11(8-13)16(3)9-10-5-4-6-15(10)2/h10-11H,4-9,13H2,1-3H3,(H,14,17)
InChIKeyGBONALKTYLWMBE-UHFFFAOYSA-N
MW242.37 g/mol
LogP-0.52
Rot. Bonds6

About 4-amino-N-methyl-3-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]butanamide

4-amino-N-methyl-3-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]butanamide (PubChem CID 79303980) has the molecular formula C12H26N4O and a molecular weight of 242.37 g/mol. Its IUPAC name is 4-amino-N-methyl-3-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]butanamide.

Molecular Properties

Compound Name4-amino-N-methyl-3-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]butanamide
PubChem CID79303980
Molecular FormulaC12H26N4O
Molecular Weight242.37 g/mol
Exact Mass242.21
IUPAC Name4-amino-N-methyl-3-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]butanamide
SMILESCNC(=O)CC(CN)N(C)CC1CCCN1C
InChIInChI=1S/C12H26N4O/c1-14-12(17)7-11(8-13)16(3)9-10-5-4-6-15(10)2/h10-11H,4-9,13H2,1-3H3,(H,14,17)
InChIKeyGBONALKTYLWMBE-UHFFFAOYSA-N
XLogP-0.52
TPSA61.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.37
LogP ≤ 5-0.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]butanehydrazide
CID 79317659
3-methyl-2-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]butanoic acid
CID 79314030
4-amino-3-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-N,N-dimethylbutanamide
CID 79314706
1-cycloheptyl-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]ethane-1,2-diamine
CID 79303833
1-methyl-1-[(1-methylpyrrolidin-2-yl)methyl]-3-propan-2-ylurea
CID 116656611
2-amino-N-methyl-N-[[(2S)-1-methylpyrrolidin-2-yl]methyl]propanamide
CID 121226107
1-(3,5-dimethylphenyl)-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]ethane-1,2-diamine
CID 79303428
N,2-dimethyl-N-[(1-methylpyrrolidin-2-yl)methyl]propanamide
CID 79312888
1-(1,3-dimethylpyrazol-4-yl)-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]ethane-1,2-diamine
CID 83088852
4-amino-3-[cyclopropylmethyl(ethyl)amino]-N-methylbutanamide
CID 66427576
2-N-methyl-1-N-(2-methylpropyl)-2-N-[(1-methylpyrrolidin-2-yl)methyl]propane-1,2-diamine
CID 79312780
N'-methyl-N'-[(1-methylpyrrolidin-2-yl)methyl]-2-propan-2-ylpropane-1,3-diamine
CID 79319228

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-methyl-3-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]butanamide?
The IUPAC name of 4-amino-N-methyl-3-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]butanamide (CID 79303980) is 4-amino-N-methyl-3-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]butanamide.
What is the SMILES notation for 4-amino-N-methyl-3-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]butanamide?
The canonical SMILES for 4-amino-N-methyl-3-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]butanamide is CNC(=O)CC(CN)N(C)CC1CCCN1C.
What is the InChIKey of 4-amino-N-methyl-3-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]butanamide?
The InChIKey is GBONALKTYLWMBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N4O/c1-14-12(17)7-11(8-13)16(3)9-10-5-4-6-15(10)2/h10-11H,4-9,13H2,1-3H3,(H,14,17).
What are the key properties of 4-amino-N-methyl-3-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]butanamide?
4-amino-N-methyl-3-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]butanamide has a molecular weight of 242.37 g/mol, XLogP of -0.52, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-methyl-3-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]butanamide is sourced from PubChem (CID 79303980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).