1-(aminomethyl)-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]cyclobutane-1-carboxamide

C14H27N3O — CID 80588258

IUPAC1-(aminomethyl)-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]cyclobutane-1-carboxamide
SMILESCC(C)N1CCC(CNC(=O)C2(CN)CCC2)C1
InChIInChI=1S/C14H27N3O/c1-11(2)17-7-4-12(9-17)8-16-13(18)14(10-15)5-3-6-14/h11-12H,3-10,15H2,1-2H3,(H,16,18)
InChIKeyQMYYPGDZOQVGQY-UHFFFAOYSA-N
MW253.39 g/mol
LogP0.96
Rot. Bonds5

About 1-(aminomethyl)-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]cyclobutane-1-carboxamide

1-(aminomethyl)-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]cyclobutane-1-carboxamide (PubChem CID 80588258) has the molecular formula C14H27N3O and a molecular weight of 253.39 g/mol. Its IUPAC name is 1-(aminomethyl)-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]cyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-(aminomethyl)-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]cyclobutane-1-carboxamide
PubChem CID80588258
Molecular FormulaC14H27N3O
Molecular Weight253.39 g/mol
Exact Mass253.22
IUPAC Name1-(aminomethyl)-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]cyclobutane-1-carboxamide
SMILESCC(C)N1CCC(CNC(=O)C2(CN)CCC2)C1
InChIInChI=1S/C14H27N3O/c1-11(2)17-7-4-12(9-17)8-16-13(18)14(10-15)5-3-6-14/h11-12H,3-10,15H2,1-2H3,(H,16,18)
InChIKeyQMYYPGDZOQVGQY-UHFFFAOYSA-N
XLogP0.96
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(aminomethyl)-N-[(1-propan-2-ylpiperidin-3-yl)methyl]oxane-4-carboxamide
CID 120940265
1-(aminomethyl)-3-methyl-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]cyclobutane-1-carboxamide
CID 80588146
1-(aminomethyl)-N-[(1-methylpyrrolidin-3-yl)methyl]cyclopentane-1-carboxamide;dihydrochloride
CID 119854626
1-[[(1-propan-2-ylpyrrolidin-3-yl)methylcarbamoylamino]methyl]cyclobutane-1-carboxylic acid
CID 115446710
1-(aminomethyl)-N-(cyclobutylmethyl)cyclobutane-1-carboxamide
CID 80587767
1-hydroxy-N-[(1-propan-2-ylpiperidin-3-yl)methyl]cyclopentane-1-carboxamide
CID 110912958
3-amino-N-[(1-propan-2-ylpiperidin-3-yl)methyl]propanamide
CID 119866720
N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]azepane-1-carboxamide
CID 115596093
4-(aminomethyl)-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]cyclohexane-1-carboxamide
CID 62806250
3-amino-N-[(1-propan-2-ylpiperidin-3-yl)methyl]propanamide;dihydrochloride
CID 119866719
4-(2-amino-2-oxoethyl)-N-[[(3R)-1-propan-2-ylpyrrolidin-3-yl]methyl]piperidine-1-carboxamide
CID 95589080
1-(hydroxymethyl)-N-[(1-methylpyrrolidin-3-yl)methyl]cyclobutane-1-carboxamide
CID 115184095

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]cyclobutane-1-carboxamide?
The IUPAC name of 1-(aminomethyl)-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]cyclobutane-1-carboxamide (CID 80588258) is 1-(aminomethyl)-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]cyclobutane-1-carboxamide.
What is the SMILES notation for 1-(aminomethyl)-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]cyclobutane-1-carboxamide?
The canonical SMILES for 1-(aminomethyl)-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]cyclobutane-1-carboxamide is CC(C)N1CCC(CNC(=O)C2(CN)CCC2)C1.
What is the InChIKey of 1-(aminomethyl)-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]cyclobutane-1-carboxamide?
The InChIKey is QMYYPGDZOQVGQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O/c1-11(2)17-7-4-12(9-17)8-16-13(18)14(10-15)5-3-6-14/h11-12H,3-10,15H2,1-2H3,(H,16,18).
What are the key properties of 1-(aminomethyl)-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]cyclobutane-1-carboxamide?
1-(aminomethyl)-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]cyclobutane-1-carboxamide has a molecular weight of 253.39 g/mol, XLogP of 0.96, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]cyclobutane-1-carboxamide is sourced from PubChem (CID 80588258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).