2-[1-(aminomethyl)cyclobutyl]-N-[(1-cyclopropylpyrrolidin-3-yl)methyl]acetamide

C15H27N3O — CID 81178986

IUPAC2-[1-(aminomethyl)cyclobutyl]-N-[(1-cyclopropylpyrrolidin-3-yl)methyl]acetamide
SMILESNCC1(CC(=O)NCC2CCN(C3CC3)C2)CCC1
InChIInChI=1S/C15H27N3O/c16-11-15(5-1-6-15)8-14(19)17-9-12-4-7-18(10-12)13-2-3-13/h12-13H,1-11,16H2,(H,17,19)
InChIKeyOQVNSCNIYJEVRY-UHFFFAOYSA-N
MW265.40 g/mol
LogP1.11
Rot. Bonds6

About 2-[1-(aminomethyl)cyclobutyl]-N-[(1-cyclopropylpyrrolidin-3-yl)methyl]acetamide

2-[1-(aminomethyl)cyclobutyl]-N-[(1-cyclopropylpyrrolidin-3-yl)methyl]acetamide (PubChem CID 81178986) has the molecular formula C15H27N3O and a molecular weight of 265.40 g/mol. Its IUPAC name is 2-[1-(aminomethyl)cyclobutyl]-N-[(1-cyclopropylpyrrolidin-3-yl)methyl]acetamide.

Molecular Properties

Compound Name2-[1-(aminomethyl)cyclobutyl]-N-[(1-cyclopropylpyrrolidin-3-yl)methyl]acetamide
PubChem CID81178986
Molecular FormulaC15H27N3O
Molecular Weight265.40 g/mol
Exact Mass265.22
IUPAC Name2-[1-(aminomethyl)cyclobutyl]-N-[(1-cyclopropylpyrrolidin-3-yl)methyl]acetamide
SMILESNCC1(CC(=O)NCC2CCN(C3CC3)C2)CCC1
InChIInChI=1S/C15H27N3O/c16-11-15(5-1-6-15)8-14(19)17-9-12-4-7-18(10-12)13-2-3-13/h12-13H,1-11,16H2,(H,17,19)
InChIKeyOQVNSCNIYJEVRY-UHFFFAOYSA-N
XLogP1.11
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(aminomethyl)cyclobutyl]-N-[(1-cyclopropylpyrrolidin-3-yl)methyl]acetamide?
The IUPAC name of 2-[1-(aminomethyl)cyclobutyl]-N-[(1-cyclopropylpyrrolidin-3-yl)methyl]acetamide (CID 81178986) is 2-[1-(aminomethyl)cyclobutyl]-N-[(1-cyclopropylpyrrolidin-3-yl)methyl]acetamide.
What is the SMILES notation for 2-[1-(aminomethyl)cyclobutyl]-N-[(1-cyclopropylpyrrolidin-3-yl)methyl]acetamide?
The canonical SMILES for 2-[1-(aminomethyl)cyclobutyl]-N-[(1-cyclopropylpyrrolidin-3-yl)methyl]acetamide is NCC1(CC(=O)NCC2CCN(C3CC3)C2)CCC1.
What is the InChIKey of 2-[1-(aminomethyl)cyclobutyl]-N-[(1-cyclopropylpyrrolidin-3-yl)methyl]acetamide?
The InChIKey is OQVNSCNIYJEVRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O/c16-11-15(5-1-6-15)8-14(19)17-9-12-4-7-18(10-12)13-2-3-13/h12-13H,1-11,16H2,(H,17,19).
What are the key properties of 2-[1-(aminomethyl)cyclobutyl]-N-[(1-cyclopropylpyrrolidin-3-yl)methyl]acetamide?
2-[1-(aminomethyl)cyclobutyl]-N-[(1-cyclopropylpyrrolidin-3-yl)methyl]acetamide has a molecular weight of 265.40 g/mol, XLogP of 1.11, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(aminomethyl)cyclobutyl]-N-[(1-cyclopropylpyrrolidin-3-yl)methyl]acetamide is sourced from PubChem (CID 81178986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).