N-[[1-(aminomethyl)cyclobutyl]methyl]-N-methyl-4-(1H-pyrrol-3-yl)butanamide

C15H25N3O — CID 115272233

IUPACN-[[1-(aminomethyl)cyclobutyl]methyl]-N-methyl-4-(1H-pyrrol-3-yl)butanamide
SMILESCN(CC1(CN)CCC1)C(=O)CCCc1cc[nH]c1
InChIInChI=1S/C15H25N3O/c1-18(12-15(11-16)7-3-8-15)14(19)5-2-4-13-6-9-17-10-13/h6,9-10,17H,2-5,7-8,11-12,16H2,1H3
InChIKeyCGWDVDVYXFPLAC-UHFFFAOYSA-N
MW263.38 g/mol
LogP1.92
Rot. Bonds7

About N-[[1-(aminomethyl)cyclobutyl]methyl]-N-methyl-4-(1H-pyrrol-3-yl)butanamide

N-[[1-(aminomethyl)cyclobutyl]methyl]-N-methyl-4-(1H-pyrrol-3-yl)butanamide (PubChem CID 115272233) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is N-[[1-(aminomethyl)cyclobutyl]methyl]-N-methyl-4-(1H-pyrrol-3-yl)butanamide.

Molecular Properties

Compound NameN-[[1-(aminomethyl)cyclobutyl]methyl]-N-methyl-4-(1H-pyrrol-3-yl)butanamide
PubChem CID115272233
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC NameN-[[1-(aminomethyl)cyclobutyl]methyl]-N-methyl-4-(1H-pyrrol-3-yl)butanamide
SMILESCN(CC1(CN)CCC1)C(=O)CCCc1cc[nH]c1
InChIInChI=1S/C15H25N3O/c1-18(12-15(11-16)7-3-8-15)14(19)5-2-4-13-6-9-17-10-13/h6,9-10,17H,2-5,7-8,11-12,16H2,1H3
InChIKeyCGWDVDVYXFPLAC-UHFFFAOYSA-N
XLogP1.92
TPSA62.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[1-(aminomethyl)cyclopropyl]methyl]-4-(4-bromophenyl)-N-methylbutanamide
CID 115272725
N-methyl-N-(pyrrolidin-3-ylmethyl)-4-(1H-pyrrol-3-yl)butanamide
CID 115272356
N-[[1-(aminomethyl)cyclobutyl]methyl]-N-methyl-1H-pyrrol-3-amine
CID 115245714
4-hydroxy-N-methyl-N-[2-(1H-pyrrol-3-yl)ethyl]butanamide
CID 115163151
N-[[1-(aminomethyl)cyclobutyl]methyl]-N-methyl-2-pyridin-4-ylacetamide
CID 115272202
1-[2-(aminomethyl)-2-methylpiperidin-1-yl]-4-(1H-pyrrol-3-yl)butan-1-one
CID 115270787
N-(6-amino-3-pyridinyl)-N-methyl-4-(1H-pyrrol-3-yl)butanamide
CID 115274634
N-[[1-(aminomethyl)cyclopropyl]methyl]-N-methyl-3-(3-methylphenyl)propanamide
CID 115272703
N-[[1-(aminomethyl)cyclopropyl]methyl]-3-(3-fluorophenyl)-N-methylpropanamide
CID 115272705
N-[[1-(aminomethyl)cyclobutyl]methyl]-N,3-dimethylbutanamide
CID 115267579
N-[[1-(aminomethyl)cyclobutyl]methyl]-N-methylbenzamide
CID 115267586
N-[[1-(aminomethyl)cyclobutyl]methyl]-N,5-dimethylfuran-2-carboxamide
CID 115272187

Frequently Asked Questions

What is the IUPAC name of N-[[1-(aminomethyl)cyclobutyl]methyl]-N-methyl-4-(1H-pyrrol-3-yl)butanamide?
The IUPAC name of N-[[1-(aminomethyl)cyclobutyl]methyl]-N-methyl-4-(1H-pyrrol-3-yl)butanamide (CID 115272233) is N-[[1-(aminomethyl)cyclobutyl]methyl]-N-methyl-4-(1H-pyrrol-3-yl)butanamide.
What is the SMILES notation for N-[[1-(aminomethyl)cyclobutyl]methyl]-N-methyl-4-(1H-pyrrol-3-yl)butanamide?
The canonical SMILES for N-[[1-(aminomethyl)cyclobutyl]methyl]-N-methyl-4-(1H-pyrrol-3-yl)butanamide is CN(CC1(CN)CCC1)C(=O)CCCc1cc[nH]c1.
What is the InChIKey of N-[[1-(aminomethyl)cyclobutyl]methyl]-N-methyl-4-(1H-pyrrol-3-yl)butanamide?
The InChIKey is CGWDVDVYXFPLAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O/c1-18(12-15(11-16)7-3-8-15)14(19)5-2-4-13-6-9-17-10-13/h6,9-10,17H,2-5,7-8,11-12,16H2,1H3.
What are the key properties of N-[[1-(aminomethyl)cyclobutyl]methyl]-N-methyl-4-(1H-pyrrol-3-yl)butanamide?
N-[[1-(aminomethyl)cyclobutyl]methyl]-N-methyl-4-(1H-pyrrol-3-yl)butanamide has a molecular weight of 263.38 g/mol, XLogP of 1.92, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(aminomethyl)cyclobutyl]methyl]-N-methyl-4-(1H-pyrrol-3-yl)butanamide is sourced from PubChem (CID 115272233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).