4-amino-N,3,3-trimethyl-N-(1-methylpyrrolidin-3-yl)butanamide

C12H25N3O — CID 115157304

IUPAC4-amino-N,3,3-trimethyl-N-(1-methylpyrrolidin-3-yl)butanamide
SMILESCN1CCC(N(C)C(=O)CC(C)(C)CN)C1
InChIInChI=1S/C12H25N3O/c1-12(2,9-13)7-11(16)15(4)10-5-6-14(3)8-10/h10H,5-9,13H2,1-4H3
InChIKeyGDJLAUGTTDHNTD-UHFFFAOYSA-N
MW227.35 g/mol
LogP0.52
Rot. Bonds4

About 4-amino-N,3,3-trimethyl-N-(1-methylpyrrolidin-3-yl)butanamide

4-amino-N,3,3-trimethyl-N-(1-methylpyrrolidin-3-yl)butanamide (PubChem CID 115157304) has the molecular formula C12H25N3O and a molecular weight of 227.35 g/mol. Its IUPAC name is 4-amino-N,3,3-trimethyl-N-(1-methylpyrrolidin-3-yl)butanamide.

Molecular Properties

Compound Name4-amino-N,3,3-trimethyl-N-(1-methylpyrrolidin-3-yl)butanamide
PubChem CID115157304
Molecular FormulaC12H25N3O
Molecular Weight227.35 g/mol
Exact Mass227.20
IUPAC Name4-amino-N,3,3-trimethyl-N-(1-methylpyrrolidin-3-yl)butanamide
SMILESCN1CCC(N(C)C(=O)CC(C)(C)CN)C1
InChIInChI=1S/C12H25N3O/c1-12(2,9-13)7-11(16)15(4)10-5-6-14(3)8-10/h10H,5-9,13H2,1-4H3
InChIKeyGDJLAUGTTDHNTD-UHFFFAOYSA-N
XLogP0.52
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N,3,3-trimethyl-N-(1-methylpyrrolidin-3-yl)butanamide?
The IUPAC name of 4-amino-N,3,3-trimethyl-N-(1-methylpyrrolidin-3-yl)butanamide (CID 115157304) is 4-amino-N,3,3-trimethyl-N-(1-methylpyrrolidin-3-yl)butanamide.
What is the SMILES notation for 4-amino-N,3,3-trimethyl-N-(1-methylpyrrolidin-3-yl)butanamide?
The canonical SMILES for 4-amino-N,3,3-trimethyl-N-(1-methylpyrrolidin-3-yl)butanamide is CN1CCC(N(C)C(=O)CC(C)(C)CN)C1.
What is the InChIKey of 4-amino-N,3,3-trimethyl-N-(1-methylpyrrolidin-3-yl)butanamide?
The InChIKey is GDJLAUGTTDHNTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O/c1-12(2,9-13)7-11(16)15(4)10-5-6-14(3)8-10/h10H,5-9,13H2,1-4H3.
What are the key properties of 4-amino-N,3,3-trimethyl-N-(1-methylpyrrolidin-3-yl)butanamide?
4-amino-N,3,3-trimethyl-N-(1-methylpyrrolidin-3-yl)butanamide has a molecular weight of 227.35 g/mol, XLogP of 0.52, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N,3,3-trimethyl-N-(1-methylpyrrolidin-3-yl)butanamide is sourced from PubChem (CID 115157304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).