3-[cyclopropylmethyl(pyrrolidin-2-ylmethyl)amino]propanamide

C12H23N3O — CID 106616433

IUPAC3-[cyclopropylmethyl(pyrrolidin-2-ylmethyl)amino]propanamide
SMILESNC(=O)CCN(CC1CC1)CC1CCCN1
InChIInChI=1S/C12H23N3O/c13-12(16)5-7-15(8-10-3-4-10)9-11-2-1-6-14-11/h10-11,14H,1-9H2,(H2,13,16)
InChIKeyHGEHCRPGIMUWAA-UHFFFAOYSA-N
MW225.34 g/mol
LogP0.33
Rot. Bonds7

About 3-[cyclopropylmethyl(pyrrolidin-2-ylmethyl)amino]propanamide

3-[cyclopropylmethyl(pyrrolidin-2-ylmethyl)amino]propanamide (PubChem CID 106616433) has the molecular formula C12H23N3O and a molecular weight of 225.34 g/mol. Its IUPAC name is 3-[cyclopropylmethyl(pyrrolidin-2-ylmethyl)amino]propanamide.

Molecular Properties

Compound Name3-[cyclopropylmethyl(pyrrolidin-2-ylmethyl)amino]propanamide
PubChem CID106616433
Molecular FormulaC12H23N3O
Molecular Weight225.34 g/mol
Exact Mass225.18
IUPAC Name3-[cyclopropylmethyl(pyrrolidin-2-ylmethyl)amino]propanamide
SMILESNC(=O)CCN(CC1CC1)CC1CCCN1
InChIInChI=1S/C12H23N3O/c13-12(16)5-7-15(8-10-3-4-10)9-11-2-1-6-14-11/h10-11,14H,1-9H2,(H2,13,16)
InChIKeyHGEHCRPGIMUWAA-UHFFFAOYSA-N
XLogP0.33
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.34
LogP ≤ 50.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2-amino-2-oxoethyl)-[[(2R)-pyrrolidin-2-yl]methyl]amino]acetamide
CID 102819499
2-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]acetamide
CID 106617908
3-[piperidin-2-ylmethyl(propan-2-yl)amino]propanamide
CID 106632108
N-(cycloheptylmethyl)-N-(pyrrolidin-2-ylmethyl)propan-1-amine
CID 106604137
N-cyclopentyl-2-[cyclopropylmethyl(pyrrolidin-2-ylmethyl)amino]acetamide
CID 106616532
3-[ethyl(pyrrolidin-2-ylmethyl)amino]-N,N-dimethylpropanamide
CID 106614989
methyl N-[2-[cyclopropylmethyl(pyrrolidin-2-ylmethyl)amino]acetyl]carbamate
CID 106616317
N-(cyclopropylmethyl)-N-(piperidin-2-ylmethyl)ethanamine
CID 63955583
N-carbamoyl-3-[2-methoxyethyl(pyrrolidin-2-ylmethyl)amino]propanamide
CID 106617540
2-[cyclopropylmethyl(pyrrolidin-2-ylmethyl)amino]-N-(2,2,2-trifluoroethyl)acetamide
CID 106616413
1-[cyclopropylmethyl(pyrrolidin-2-ylmethyl)amino]-2-methylbutan-2-ol
CID 106616406
2-[cyclopropylmethyl(pyrrolidin-2-ylmethyl)amino]-N-(5-methyl-1,3,4-oxadiazol-2-yl)acetamide
CID 106616264

Frequently Asked Questions

What is the IUPAC name of 3-[cyclopropylmethyl(pyrrolidin-2-ylmethyl)amino]propanamide?
The IUPAC name of 3-[cyclopropylmethyl(pyrrolidin-2-ylmethyl)amino]propanamide (CID 106616433) is 3-[cyclopropylmethyl(pyrrolidin-2-ylmethyl)amino]propanamide.
What is the SMILES notation for 3-[cyclopropylmethyl(pyrrolidin-2-ylmethyl)amino]propanamide?
The canonical SMILES for 3-[cyclopropylmethyl(pyrrolidin-2-ylmethyl)amino]propanamide is NC(=O)CCN(CC1CC1)CC1CCCN1.
What is the InChIKey of 3-[cyclopropylmethyl(pyrrolidin-2-ylmethyl)amino]propanamide?
The InChIKey is HGEHCRPGIMUWAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O/c13-12(16)5-7-15(8-10-3-4-10)9-11-2-1-6-14-11/h10-11,14H,1-9H2,(H2,13,16).
What are the key properties of 3-[cyclopropylmethyl(pyrrolidin-2-ylmethyl)amino]propanamide?
3-[cyclopropylmethyl(pyrrolidin-2-ylmethyl)amino]propanamide has a molecular weight of 225.34 g/mol, XLogP of 0.33, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclopropylmethyl(pyrrolidin-2-ylmethyl)amino]propanamide is sourced from PubChem (CID 106616433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).