1-(aminomethyl)-3-methyl-N-(1-methylpyrrolidin-3-yl)cyclobutane-1-carboxamide

C12H23N3O — CID 80588230

IUPAC1-(aminomethyl)-3-methyl-N-(1-methylpyrrolidin-3-yl)cyclobutane-1-carboxamide
SMILESCC1CC(CN)(C(=O)NC2CCN(C)C2)C1
InChIInChI=1S/C12H23N3O/c1-9-5-12(6-9,8-13)11(16)14-10-3-4-15(2)7-10/h9-10H,3-8,13H2,1-2H3,(H,14,16)
InChIKeyRVXIPMWVHJVKNJ-UHFFFAOYSA-N
MW225.34 g/mol
LogP0.18
Rot. Bonds3

About 1-(aminomethyl)-3-methyl-N-(1-methylpyrrolidin-3-yl)cyclobutane-1-carboxamide

1-(aminomethyl)-3-methyl-N-(1-methylpyrrolidin-3-yl)cyclobutane-1-carboxamide (PubChem CID 80588230) has the molecular formula C12H23N3O and a molecular weight of 225.34 g/mol. Its IUPAC name is 1-(aminomethyl)-3-methyl-N-(1-methylpyrrolidin-3-yl)cyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-(aminomethyl)-3-methyl-N-(1-methylpyrrolidin-3-yl)cyclobutane-1-carboxamide
PubChem CID80588230
Molecular FormulaC12H23N3O
Molecular Weight225.34 g/mol
Exact Mass225.18
IUPAC Name1-(aminomethyl)-3-methyl-N-(1-methylpyrrolidin-3-yl)cyclobutane-1-carboxamide
SMILESCC1CC(CN)(C(=O)NC2CCN(C)C2)C1
InChIInChI=1S/C12H23N3O/c1-9-5-12(6-9,8-13)11(16)14-10-3-4-15(2)7-10/h9-10H,3-8,13H2,1-2H3,(H,14,16)
InChIKeyRVXIPMWVHJVKNJ-UHFFFAOYSA-N
XLogP0.18
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.34
LogP ≤ 50.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-(1-methylpyrrolidin-3-yl)propanamide
CID 61465444
1-(aminomethyl)-N-[(1,4-dimethylpiperazin-2-yl)methyl]-3-methylcyclobutane-1-carboxamide
CID 80599155
1-(aminomethyl)-3-methyl-N-(4-methylpiperazin-1-yl)cyclobutane-1-carboxamide
CID 83013697
1-methyl-N-(1-methylpyrrolidin-3-yl)cyclopropane-1-carboxamide
CID 131018352
1-(aminomethyl)-N,3-dimethyl-N-[(1-methylpyrrolidin-3-yl)methyl]cyclobutane-1-carboxamide
CID 80598397
[1-(aminomethyl)-3-methylcyclobutyl]-(2,4-dimethylpiperazin-1-yl)methanone
CID 114086567
1-(aminomethyl)-3-methyl-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]cyclobutane-1-carboxamide
CID 80588146
1-(aminomethyl)-N-(1-cyclopropylpiperidin-4-yl)-4-methylcyclohexane-1-carboxamide
CID 115441634
2-amino-2-ethyl-N-(1-methylpyrrolidin-3-yl)butanamide
CID 79814600
N-(1-acetylpiperidin-4-yl)-1-(aminomethyl)cyclopropane-1-carboxamide
CID 115452571
1-(aminomethyl)-4-methyl-N-(1-propan-2-ylpiperidin-4-yl)cyclohexane-1-carboxamide
CID 115441631
ethyl N-(1-methylpyrrolidin-3-yl)carbamate
CID 61355543

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-3-methyl-N-(1-methylpyrrolidin-3-yl)cyclobutane-1-carboxamide?
The IUPAC name of 1-(aminomethyl)-3-methyl-N-(1-methylpyrrolidin-3-yl)cyclobutane-1-carboxamide (CID 80588230) is 1-(aminomethyl)-3-methyl-N-(1-methylpyrrolidin-3-yl)cyclobutane-1-carboxamide.
What is the SMILES notation for 1-(aminomethyl)-3-methyl-N-(1-methylpyrrolidin-3-yl)cyclobutane-1-carboxamide?
The canonical SMILES for 1-(aminomethyl)-3-methyl-N-(1-methylpyrrolidin-3-yl)cyclobutane-1-carboxamide is CC1CC(CN)(C(=O)NC2CCN(C)C2)C1.
What is the InChIKey of 1-(aminomethyl)-3-methyl-N-(1-methylpyrrolidin-3-yl)cyclobutane-1-carboxamide?
The InChIKey is RVXIPMWVHJVKNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O/c1-9-5-12(6-9,8-13)11(16)14-10-3-4-15(2)7-10/h9-10H,3-8,13H2,1-2H3,(H,14,16).
What are the key properties of 1-(aminomethyl)-3-methyl-N-(1-methylpyrrolidin-3-yl)cyclobutane-1-carboxamide?
1-(aminomethyl)-3-methyl-N-(1-methylpyrrolidin-3-yl)cyclobutane-1-carboxamide has a molecular weight of 225.34 g/mol, XLogP of 0.18, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-3-methyl-N-(1-methylpyrrolidin-3-yl)cyclobutane-1-carboxamide is sourced from PubChem (CID 80588230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).