5-amino-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]pentanamide

C12H25N3O — CID 79314072

IUPAC5-amino-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]pentanamide
SMILESCN(CC1CCCN1C)C(=O)CCCCN
InChIInChI=1S/C12H25N3O/c1-14-9-5-6-11(14)10-15(2)12(16)7-3-4-8-13/h11H,3-10,13H2,1-2H3
InChIKeyRMBMGTYNXIFNCQ-UHFFFAOYSA-N
MW227.35 g/mol
LogP0.67
Rot. Bonds6

About 5-amino-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]pentanamide

5-amino-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]pentanamide (PubChem CID 79314072) has the molecular formula C12H25N3O and a molecular weight of 227.35 g/mol. Its IUPAC name is 5-amino-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]pentanamide.

Molecular Properties

Compound Name5-amino-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]pentanamide
PubChem CID79314072
Molecular FormulaC12H25N3O
Molecular Weight227.35 g/mol
Exact Mass227.20
IUPAC Name5-amino-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]pentanamide
SMILESCN(CC1CCCN1C)C(=O)CCCCN
InChIInChI=1S/C12H25N3O/c1-14-9-5-6-11(14)10-15(2)12(16)7-3-4-8-13/h11H,3-10,13H2,1-2H3
InChIKeyRMBMGTYNXIFNCQ-UHFFFAOYSA-N
XLogP0.67
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-methyl-3-(methylamino)-N-[(1-methylpyrrolidin-2-yl)methyl]propanamide
CID 79314488
N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]-3-(propan-2-ylamino)propanamide
CID 79313817
2-[1-(aminomethyl)cyclobutyl]-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]acetamide
CID 81169351
2-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]-2-oxoacetic acid
CID 79315922
N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]-3-piperidin-2-ylpropanamide
CID 79314839
2-amino-N-methyl-N-[[(2S)-1-methylpyrrolidin-2-yl]methyl]propanamide
CID 121226107
2-(tert-butylamino)-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]acetamide
CID 79314656
N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]-3-piperidin-3-ylpropanamide
CID 79313736
N,2-dimethyl-N-[(1-methylpyrrolidin-2-yl)methyl]propanamide
CID 79312888
1-amino-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]cyclopropane-1-carboxamide
CID 79314821
3-amino-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]propane-1-sulfonamide
CID 79313720
6-[[methyl-[(1-methylpyrrolidin-2-yl)methyl]carbamoyl]amino]-6-oxohexanoic acid
CID 79311151

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]pentanamide?
The IUPAC name of 5-amino-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]pentanamide (CID 79314072) is 5-amino-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]pentanamide.
What is the SMILES notation for 5-amino-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]pentanamide?
The canonical SMILES for 5-amino-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]pentanamide is CN(CC1CCCN1C)C(=O)CCCCN.
What is the InChIKey of 5-amino-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]pentanamide?
The InChIKey is RMBMGTYNXIFNCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O/c1-14-9-5-6-11(14)10-15(2)12(16)7-3-4-8-13/h11H,3-10,13H2,1-2H3.
What are the key properties of 5-amino-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]pentanamide?
5-amino-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]pentanamide has a molecular weight of 227.35 g/mol, XLogP of 0.67, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]pentanamide is sourced from PubChem (CID 79314072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).