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

C14H27N3O — CID 81169351

IUPAC2-[1-(aminomethyl)cyclobutyl]-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]acetamide
SMILESCN(CC1CCCN1C)C(=O)CC1(CN)CCC1
InChIInChI=1S/C14H27N3O/c1-16-8-3-5-12(16)10-17(2)13(18)9-14(11-15)6-4-7-14/h12H,3-11,15H2,1-2H3
InChIKeyZWQHBZISIKYYLA-UHFFFAOYSA-N
MW253.39 g/mol
LogP1.06
Rot. Bonds5

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

2-[1-(aminomethyl)cyclobutyl]-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]acetamide (PubChem CID 81169351) has the molecular formula C14H27N3O and a molecular weight of 253.39 g/mol. Its IUPAC name is 2-[1-(aminomethyl)cyclobutyl]-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]acetamide.

Molecular Properties

Compound Name2-[1-(aminomethyl)cyclobutyl]-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]acetamide
PubChem CID81169351
Molecular FormulaC14H27N3O
Molecular Weight253.39 g/mol
Exact Mass253.22
IUPAC Name2-[1-(aminomethyl)cyclobutyl]-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]acetamide
SMILESCN(CC1CCCN1C)C(=O)CC1(CN)CCC1
InChIInChI=1S/C14H27N3O/c1-16-8-3-5-12(16)10-17(2)13(18)9-14(11-15)6-4-7-14/h12H,3-11,15H2,1-2H3
InChIKeyZWQHBZISIKYYLA-UHFFFAOYSA-N
XLogP1.06
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[1-(aminomethyl)cyclobutyl]methyl]-N-methyl-1-(1-methylpyrrolidin-2-yl)methanamine
CID 115449103
2-[1-(aminomethyl)cyclohexyl]-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]acetamide
CID 104678196
5-amino-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]pentanamide
CID 79314072
1-amino-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]cyclopropane-1-carboxamide
CID 79314821
1-amino-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]cyclopentane-1-carboxamide
CID 79314654
2-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]-2-oxoacetic acid
CID 79315922
N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]-3-(propan-2-ylamino)propanamide
CID 79313817
N-methyl-3-(methylamino)-N-[(1-methylpyrrolidin-2-yl)methyl]propanamide
CID 79314488
2-amino-N-methyl-N-[[(2S)-1-methylpyrrolidin-2-yl]methyl]propanamide
CID 121226107
2-(tert-butylamino)-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]acetamide
CID 79314656
2-[1-(aminomethyl)cyclobutyl]-N-(1-ethylpiperidin-4-yl)-N-methylacetamide
CID 81179607
2-[1-(aminomethyl)cyclohexyl]-1-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]ethanone
CID 104678156

Frequently Asked Questions

What is the IUPAC name of 2-[1-(aminomethyl)cyclobutyl]-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]acetamide?
The IUPAC name of 2-[1-(aminomethyl)cyclobutyl]-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]acetamide (CID 81169351) is 2-[1-(aminomethyl)cyclobutyl]-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]acetamide.
What is the SMILES notation for 2-[1-(aminomethyl)cyclobutyl]-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]acetamide?
The canonical SMILES for 2-[1-(aminomethyl)cyclobutyl]-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]acetamide is CN(CC1CCCN1C)C(=O)CC1(CN)CCC1.
What is the InChIKey of 2-[1-(aminomethyl)cyclobutyl]-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]acetamide?
The InChIKey is ZWQHBZISIKYYLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O/c1-16-8-3-5-12(16)10-17(2)13(18)9-14(11-15)6-4-7-14/h12H,3-11,15H2,1-2H3.
What are the key properties of 2-[1-(aminomethyl)cyclobutyl]-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]acetamide?
2-[1-(aminomethyl)cyclobutyl]-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]acetamide has a molecular weight of 253.39 g/mol, XLogP of 1.06, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(aminomethyl)cyclobutyl]-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]acetamide is sourced from PubChem (CID 81169351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).