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

C12H25N3O — CID 60856275

IUPAC2-amino-2-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]pentanamide
SMILESCCCC(C)(N)C(=O)NCC1CCN(C)C1
InChIInChI=1S/C12H25N3O/c1-4-6-12(2,13)11(16)14-8-10-5-7-15(3)9-10/h10H,4-9,13H2,1-3H3,(H,14,16)
InChIKeyIIDFUFANGWLBQH-UHFFFAOYSA-N
MW227.35 g/mol
LogP0.57
Rot. Bonds5

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

2-amino-2-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]pentanamide (PubChem CID 60856275) has the molecular formula C12H25N3O and a molecular weight of 227.35 g/mol. Its IUPAC name is 2-amino-2-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]pentanamide.

Molecular Properties

Compound Name2-amino-2-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]pentanamide
PubChem CID60856275
Molecular FormulaC12H25N3O
Molecular Weight227.35 g/mol
Exact Mass227.20
IUPAC Name2-amino-2-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]pentanamide
SMILESCCCC(C)(N)C(=O)NCC1CCN(C)C1
InChIInChI=1S/C12H25N3O/c1-4-6-12(2,13)11(16)14-8-10-5-7-15(3)9-10/h10H,4-9,13H2,1-3H3,(H,14,16)
InChIKeyIIDFUFANGWLBQH-UHFFFAOYSA-N
XLogP0.57
TPSA58.36 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 ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-2-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]propanamide
CID 61264835
2-amino-N-[(1,4-dimethylpiperazin-2-yl)methyl]-2-methylpentanamide
CID 63896376
2-amino-2-cyclopropyl-N-[(1-methylpyrrolidin-3-yl)methyl]propanamide
CID 60856927
4-amino-2,2-dimethyl-N-[(1-methylpyrrolidin-3-yl)methyl]butanamide
CID 115157048
2-amino-N-(cyclooctylmethyl)-2-methylpentanamide;hydrochloride
CID 119741898
2-amino-N-[(3-hydroxycyclobutyl)methyl]-2-methylpentanamide
CID 66004244
2-amino-N-[(1-ethylpyrrolidin-3-yl)methyl]-2-methylbutanamide
CID 79797123
2-amino-2-methyl-N-(1-methylpiperidin-3-yl)pentanamide
CID 61212019
2-amino-2-methyl-N-[(1-methylpiperidin-4-yl)methyl]propanamide;dihydrochloride
CID 119866874
2-amino-N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-2-methylbutanamide
CID 79797487
3-amino-3-hydroxyimino-2,2-dimethyl-N-[(1-methylpyrrolidin-3-yl)methyl]propanamide
CID 76920813
4-amino-2,2-dimethyl-N-[(1-methylpiperidin-4-yl)methyl]butanamide
CID 115157046

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]pentanamide?
The IUPAC name of 2-amino-2-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]pentanamide (CID 60856275) is 2-amino-2-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]pentanamide.
What is the SMILES notation for 2-amino-2-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]pentanamide?
The canonical SMILES for 2-amino-2-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]pentanamide is CCCC(C)(N)C(=O)NCC1CCN(C)C1.
What is the InChIKey of 2-amino-2-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]pentanamide?
The InChIKey is IIDFUFANGWLBQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O/c1-4-6-12(2,13)11(16)14-8-10-5-7-15(3)9-10/h10H,4-9,13H2,1-3H3,(H,14,16).
What are the key properties of 2-amino-2-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]pentanamide?
2-amino-2-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]pentanamide has a molecular weight of 227.35 g/mol, XLogP of 0.57, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]pentanamide is sourced from PubChem (CID 60856275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).