2-[butyl(pyrrolidin-2-ylmethyl)amino]-N-methylacetamide

C12H25N3O — CID 106616577

IUPAC2-[butyl(pyrrolidin-2-ylmethyl)amino]-N-methylacetamide
SMILESCCCCN(CC(=O)NC)CC1CCCN1
InChIInChI=1S/C12H25N3O/c1-3-4-8-15(10-12(16)13-2)9-11-6-5-7-14-11/h11,14H,3-10H2,1-2H3,(H,13,16)
InChIKeyRJXSPDMZEXXALZ-UHFFFAOYSA-N
MW227.35 g/mol
LogP0.59
Rot. Bonds7

About 2-[butyl(pyrrolidin-2-ylmethyl)amino]-N-methylacetamide

2-[butyl(pyrrolidin-2-ylmethyl)amino]-N-methylacetamide (PubChem CID 106616577) has the molecular formula C12H25N3O and a molecular weight of 227.35 g/mol. Its IUPAC name is 2-[butyl(pyrrolidin-2-ylmethyl)amino]-N-methylacetamide.

Molecular Properties

Compound Name2-[butyl(pyrrolidin-2-ylmethyl)amino]-N-methylacetamide
PubChem CID106616577
Molecular FormulaC12H25N3O
Molecular Weight227.35 g/mol
Exact Mass227.20
IUPAC Name2-[butyl(pyrrolidin-2-ylmethyl)amino]-N-methylacetamide
SMILESCCCCN(CC(=O)NC)CC1CCCN1
InChIInChI=1S/C12H25N3O/c1-3-4-8-15(10-12(16)13-2)9-11-6-5-7-14-11/h11,14H,3-10H2,1-2H3,(H,13,16)
InChIKeyRJXSPDMZEXXALZ-UHFFFAOYSA-N
XLogP0.59
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[butyl(pyrrolidin-2-ylmethyl)amino]-N-cyclopropylacetamide
CID 106616609
2-[butyl(pyrrolidin-2-ylmethyl)amino]-N-(ethylcarbamoyl)acetamide
CID 106616837
tert-butyl 2-[butyl(pyrrolidin-2-ylmethyl)amino]acetate
CID 106616742
N-tert-butyl-2-[propyl(pyrrolidin-2-ylmethyl)amino]acetamide
CID 106616037
2-[butyl(pyrrolidin-2-ylmethyl)amino]-N,N-bis(prop-2-enyl)acetamide
CID 106616738
N-butyl-N-[[(2R)-piperidin-2-yl]methyl]butan-1-amine
CID 28983352
N-methyl-2-[2-piperidin-2-ylethyl(propyl)amino]acetamide
CID 54984633
2-[piperidin-2-ylmethyl(propyl)amino]-N-propylacetamide
CID 106636145
methyl 3-[butyl(pyrrolidin-2-ylmethyl)amino]-2,2-dimethylpropanoate
CID 106616926
2-[propyl(pyrrolidin-2-ylmethyl)amino]-N-(2,2,2-trifluoroethyl)acetamide
CID 106615942
N-propyl-N-(pyrrolidin-2-ylmethyl)pentan-1-amine
CID 106603768
1-butyl-3,3-dimethyl-1-(pyrrolidin-2-ylmethyl)urea
CID 106613384

Frequently Asked Questions

What is the IUPAC name of 2-[butyl(pyrrolidin-2-ylmethyl)amino]-N-methylacetamide?
The IUPAC name of 2-[butyl(pyrrolidin-2-ylmethyl)amino]-N-methylacetamide (CID 106616577) is 2-[butyl(pyrrolidin-2-ylmethyl)amino]-N-methylacetamide.
What is the SMILES notation for 2-[butyl(pyrrolidin-2-ylmethyl)amino]-N-methylacetamide?
The canonical SMILES for 2-[butyl(pyrrolidin-2-ylmethyl)amino]-N-methylacetamide is CCCCN(CC(=O)NC)CC1CCCN1.
What is the InChIKey of 2-[butyl(pyrrolidin-2-ylmethyl)amino]-N-methylacetamide?
The InChIKey is RJXSPDMZEXXALZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O/c1-3-4-8-15(10-12(16)13-2)9-11-6-5-7-14-11/h11,14H,3-10H2,1-2H3,(H,13,16).
What are the key properties of 2-[butyl(pyrrolidin-2-ylmethyl)amino]-N-methylacetamide?
2-[butyl(pyrrolidin-2-ylmethyl)amino]-N-methylacetamide has a molecular weight of 227.35 g/mol, XLogP of 0.59, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[butyl(pyrrolidin-2-ylmethyl)amino]-N-methylacetamide is sourced from PubChem (CID 106616577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).