N-[(1-methyl-2,5-dihydropyrrol-3-yl)methyl]cyclobutanamine

C10H18N2 — CID 117205432

IUPACN-[(1-methyl-2,5-dihydropyrrol-3-yl)methyl]cyclobutanamine
SMILESCN1CC=C(CNC2CCC2)C1
InChIInChI=1S/C10H18N2/c1-12-6-5-9(8-12)7-11-10-3-2-4-10/h5,10-11H,2-4,6-8H2,1H3
InChIKeyIERWSSSQWAWFHL-UHFFFAOYSA-N
MW166.27 g/mol
LogP1.00
Rot. Bonds3

About N-[(1-methyl-2,5-dihydropyrrol-3-yl)methyl]cyclobutanamine

N-[(1-methyl-2,5-dihydropyrrol-3-yl)methyl]cyclobutanamine (PubChem CID 117205432) has the molecular formula C10H18N2 and a molecular weight of 166.27 g/mol. Its IUPAC name is N-[(1-methyl-2,5-dihydropyrrol-3-yl)methyl]cyclobutanamine.

Molecular Properties

Compound NameN-[(1-methyl-2,5-dihydropyrrol-3-yl)methyl]cyclobutanamine
PubChem CID117205432
Molecular FormulaC10H18N2
Molecular Weight166.27 g/mol
Exact Mass166.15
IUPAC NameN-[(1-methyl-2,5-dihydropyrrol-3-yl)methyl]cyclobutanamine
SMILESCN1CC=C(CNC2CCC2)C1
InChIInChI=1S/C10H18N2/c1-12-6-5-9(8-12)7-11-10-3-2-4-10/h5,10-11H,2-4,6-8H2,1H3
InChIKeyIERWSSSQWAWFHL-UHFFFAOYSA-N
XLogP1.00
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.27
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-[(1-propan-2-yl-3,6-dihydro-2H-pyridin-5-yl)methyl]cyclopentanamine
CID 117205551
N-[(1-propan-2-yl-3,6-dihydro-2H-pyridin-4-yl)methyl]cyclopentanamine
CID 117205505
N-[(1-methyl-3,6-dihydro-2H-pyridin-4-yl)methyl]thietan-3-amine
CID 130841585
N-[(1-methylimidazol-2-yl)methyl]cyclobutanamine
CID 62415731
4-methyl-N-[(1-methylimidazol-2-yl)methyl]cycloheptan-1-amine
CID 65080394
N-[(3,5-dimethylphenyl)methyl]cyclobutanamine
CID 62414754
N-[(1-propan-2-ylpyrazol-3-yl)methyl]cyclobutanamine
CID 64771100
5-[(cyclobutylamino)methyl]-2-methyl-1H-pyrazol-3-one
CID 131091893
N-[(4-chloro-1-methylpyrazol-5-yl)methyl]cyclobutanamine
CID 130693971
N-[(1,5-dimethylpyrrol-2-yl)methyl]cyclopentanamine
CID 100792166
N-[(1-methylindol-2-yl)methyl]cyclobutanamine
CID 117173088
N-(1H-pyrrol-3-ylmethyl)cyclobutanamine
CID 66409637

Frequently Asked Questions

What is the IUPAC name of N-[(1-methyl-2,5-dihydropyrrol-3-yl)methyl]cyclobutanamine?
The IUPAC name of N-[(1-methyl-2,5-dihydropyrrol-3-yl)methyl]cyclobutanamine (CID 117205432) is N-[(1-methyl-2,5-dihydropyrrol-3-yl)methyl]cyclobutanamine.
What is the SMILES notation for N-[(1-methyl-2,5-dihydropyrrol-3-yl)methyl]cyclobutanamine?
The canonical SMILES for N-[(1-methyl-2,5-dihydropyrrol-3-yl)methyl]cyclobutanamine is CN1CC=C(CNC2CCC2)C1.
What is the InChIKey of N-[(1-methyl-2,5-dihydropyrrol-3-yl)methyl]cyclobutanamine?
The InChIKey is IERWSSSQWAWFHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2/c1-12-6-5-9(8-12)7-11-10-3-2-4-10/h5,10-11H,2-4,6-8H2,1H3.
What are the key properties of N-[(1-methyl-2,5-dihydropyrrol-3-yl)methyl]cyclobutanamine?
N-[(1-methyl-2,5-dihydropyrrol-3-yl)methyl]cyclobutanamine has a molecular weight of 166.27 g/mol, XLogP of 1.00, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methyl-2,5-dihydropyrrol-3-yl)methyl]cyclobutanamine is sourced from PubChem (CID 117205432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).