1-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylcyclobutane-1-carboxamide

C13H25N3O — CID 81169352

IUPAC1-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylcyclobutane-1-carboxamide
SMILESCCN1CCCC1CN(C)C(=O)C1(N)CCC1
InChIInChI=1S/C13H25N3O/c1-3-16-9-4-6-11(16)10-15(2)12(17)13(14)7-5-8-13/h11H,3-10,14H2,1-2H3
InChIKeyIPPBSJBGVUBEJX-UHFFFAOYSA-N
MW239.36 g/mol
LogP0.81
Rot. Bonds4

About 1-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylcyclobutane-1-carboxamide

1-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylcyclobutane-1-carboxamide (PubChem CID 81169352) has the molecular formula C13H25N3O and a molecular weight of 239.36 g/mol. Its IUPAC name is 1-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylcyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylcyclobutane-1-carboxamide
PubChem CID81169352
Molecular FormulaC13H25N3O
Molecular Weight239.36 g/mol
Exact Mass239.20
IUPAC Name1-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylcyclobutane-1-carboxamide
SMILESCCN1CCCC1CN(C)C(=O)C1(N)CCC1
InChIInChI=1S/C13H25N3O/c1-3-16-9-4-6-11(16)10-15(2)12(17)13(14)7-5-8-13/h11H,3-10,14H2,1-2H3
InChIKeyIPPBSJBGVUBEJX-UHFFFAOYSA-N
XLogP0.81
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-amino-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]cyclopentane-1-carboxamide
CID 79314654
1-amino-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]cyclopropane-1-carboxamide
CID 79314821
N-[(1-ethylpyrrolidin-2-yl)methyl]-N,2-dimethylpyrrolidine-2-carboxamide
CID 79314006
1-carbamothioyl-N-[(1-ethylpyrrolidin-2-yl)methyl]-N,3-dimethylcyclobutane-1-carboxamide
CID 80591070
N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylpyrrolidine-1-carboxamide
CID 113248160
N-[(1-ethylpyrrolidin-2-yl)methyl]-N,2,2-trimethylpropanamide
CID 79312453
4-cyano-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methyloxane-4-carboxamide
CID 79314603
2-bromo-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylpropanamide
CID 107905439
3-chloro-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylpropanamide
CID 79313879
2-(azetidin-3-yl)-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylacetamide
CID 79314252
2-(aminomethyl)-2-ethyl-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylbutanamide
CID 79314285
4-(aminomethyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylcyclohexane-1-carboxamide
CID 79313305

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylcyclobutane-1-carboxamide?
The IUPAC name of 1-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylcyclobutane-1-carboxamide (CID 81169352) is 1-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylcyclobutane-1-carboxamide.
What is the SMILES notation for 1-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylcyclobutane-1-carboxamide?
The canonical SMILES for 1-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylcyclobutane-1-carboxamide is CCN1CCCC1CN(C)C(=O)C1(N)CCC1.
What is the InChIKey of 1-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylcyclobutane-1-carboxamide?
The InChIKey is IPPBSJBGVUBEJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O/c1-3-16-9-4-6-11(16)10-15(2)12(17)13(14)7-5-8-13/h11H,3-10,14H2,1-2H3.
What are the key properties of 1-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylcyclobutane-1-carboxamide?
1-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylcyclobutane-1-carboxamide has a molecular weight of 239.36 g/mol, XLogP of 0.81, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylcyclobutane-1-carboxamide is sourced from PubChem (CID 81169352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).