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

C14H27N3O — CID 106616609

IUPAC2-[butyl(pyrrolidin-2-ylmethyl)amino]-N-cyclopropylacetamide
SMILESCCCCN(CC(=O)NC1CC1)CC1CCCN1
InChIInChI=1S/C14H27N3O/c1-2-3-9-17(10-13-5-4-8-15-13)11-14(18)16-12-6-7-12/h12-13,15H,2-11H2,1H3,(H,16,18)
InChIKeyXYUVSTLKABTJTM-UHFFFAOYSA-N
MW253.39 g/mol
LogP1.12
Rot. Bonds8

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

2-[butyl(pyrrolidin-2-ylmethyl)amino]-N-cyclopropylacetamide (PubChem CID 106616609) has the molecular formula C14H27N3O and a molecular weight of 253.39 g/mol. Its IUPAC name is 2-[butyl(pyrrolidin-2-ylmethyl)amino]-N-cyclopropylacetamide.

Molecular Properties

Compound Name2-[butyl(pyrrolidin-2-ylmethyl)amino]-N-cyclopropylacetamide
PubChem CID106616609
Molecular FormulaC14H27N3O
Molecular Weight253.39 g/mol
Exact Mass253.22
IUPAC Name2-[butyl(pyrrolidin-2-ylmethyl)amino]-N-cyclopropylacetamide
SMILESCCCCN(CC(=O)NC1CC1)CC1CCCN1
InChIInChI=1S/C14H27N3O/c1-2-3-9-17(10-13-5-4-8-15-13)11-14(18)16-12-6-7-12/h12-13,15H,2-11H2,1H3,(H,16,18)
InChIKeyXYUVSTLKABTJTM-UHFFFAOYSA-N
XLogP1.12
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[butyl(pyrrolidin-2-ylmethyl)amino]-N-cyclopropylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[butyl(pyrrolidin-2-ylmethyl)amino]-N-methylacetamide
CID 106616577
2-[butyl(pyrrolidin-2-ylmethyl)amino]-N-(ethylcarbamoyl)acetamide
CID 106616837
N-cyclopentyl-2-[cyclopropylmethyl(pyrrolidin-2-ylmethyl)amino]acetamide
CID 106616532
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
2-[piperidin-2-ylmethyl(propyl)amino]-N-propylacetamide
CID 106636145
N-cyclopropyl-2-[methyl-[2-[methyl(pyrrolidin-2-ylmethyl)amino]acetyl]amino]acetamide
CID 106614156
methyl 3-[butyl(pyrrolidin-2-ylmethyl)amino]-2,2-dimethylpropanoate
CID 106616926
N-(2-methylbutan-2-yl)-2-[piperidin-2-ylmethyl(propyl)amino]acetamide
CID 106635885
2-[propyl(pyrrolidin-2-ylmethyl)amino]-N-(2,2,2-trifluoroethyl)acetamide
CID 106615942

Frequently Asked Questions

What is the IUPAC name of 2-[butyl(pyrrolidin-2-ylmethyl)amino]-N-cyclopropylacetamide?
The IUPAC name of 2-[butyl(pyrrolidin-2-ylmethyl)amino]-N-cyclopropylacetamide (CID 106616609) is 2-[butyl(pyrrolidin-2-ylmethyl)amino]-N-cyclopropylacetamide.
What is the SMILES notation for 2-[butyl(pyrrolidin-2-ylmethyl)amino]-N-cyclopropylacetamide?
The canonical SMILES for 2-[butyl(pyrrolidin-2-ylmethyl)amino]-N-cyclopropylacetamide is CCCCN(CC(=O)NC1CC1)CC1CCCN1.
What is the InChIKey of 2-[butyl(pyrrolidin-2-ylmethyl)amino]-N-cyclopropylacetamide?
The InChIKey is XYUVSTLKABTJTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O/c1-2-3-9-17(10-13-5-4-8-15-13)11-14(18)16-12-6-7-12/h12-13,15H,2-11H2,1H3,(H,16,18).
What are the key properties of 2-[butyl(pyrrolidin-2-ylmethyl)amino]-N-cyclopropylacetamide?
2-[butyl(pyrrolidin-2-ylmethyl)amino]-N-cyclopropylacetamide has a molecular weight of 253.39 g/mol, XLogP of 1.12, 8 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-cyclopropylacetamide is sourced from PubChem (CID 106616609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).