3-ethoxy-N-[(1-ethylpyrrol-3-yl)methyl]cyclobutan-1-amine

C13H22N2O — CID 103270597

IUPAC3-ethoxy-N-[(1-ethylpyrrol-3-yl)methyl]cyclobutan-1-amine
SMILESCCOC1CC(NCc2ccn(CC)c2)C1
InChIInChI=1S/C13H22N2O/c1-3-15-6-5-11(10-15)9-14-12-7-13(8-12)16-4-2/h5-6,10,12-14H,3-4,7-9H2,1-2H3
InChIKeyRQIWQYGTJYNGQD-UHFFFAOYSA-N
MW222.33 g/mol
LogP2.17
Rot. Bonds6

About 3-ethoxy-N-[(1-ethylpyrrol-3-yl)methyl]cyclobutan-1-amine

3-ethoxy-N-[(1-ethylpyrrol-3-yl)methyl]cyclobutan-1-amine (PubChem CID 103270597) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is 3-ethoxy-N-[(1-ethylpyrrol-3-yl)methyl]cyclobutan-1-amine.

Molecular Properties

Compound Name3-ethoxy-N-[(1-ethylpyrrol-3-yl)methyl]cyclobutan-1-amine
PubChem CID103270597
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC Name3-ethoxy-N-[(1-ethylpyrrol-3-yl)methyl]cyclobutan-1-amine
SMILESCCOC1CC(NCc2ccn(CC)c2)C1
InChIInChI=1S/C13H22N2O/c1-3-15-6-5-11(10-15)9-14-12-7-13(8-12)16-4-2/h5-6,10,12-14H,3-4,7-9H2,1-2H3
InChIKeyRQIWQYGTJYNGQD-UHFFFAOYSA-N
XLogP2.17
TPSA26.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[(3-ethoxycyclobutyl)amino]methyl]-N,N-dimethylaniline
CID 112553007
N-[(3,4-dibromophenyl)methyl]-3-ethoxycyclobutan-1-amine
CID 102610336
N-[(1-ethylpyrrol-3-yl)methyl]-2-propylcyclopropan-1-amine
CID 103270528
3-[(1-ethylpyrrol-3-yl)methylamino]-2,2-dimethylcyclobutan-1-ol
CID 114628998
4-[[(3-ethoxycyclobutyl)amino]methyl]-N-methylbenzamide
CID 112553050
4-[[(3-ethoxycyclobutyl)amino]methyl]-2-fluoroaniline
CID 114119839
N-ethoxy-1-(1-ethylpyrrol-3-yl)methanamine
CID 82706620
5-[[(3-ethoxycyclobutyl)amino]methyl]-1,3-dimethylpyrimidine-2,4-dione
CID 102610386
N-[(3,5-dibromo-4-methoxyphenyl)methyl]-3-ethoxycyclobutan-1-amine
CID 102610287
3-ethoxy-N-[(1-methylimidazol-2-yl)methyl]cyclobutan-1-amine
CID 112553123
4-[[(3-ethoxycyclobutyl)amino]methyl]-2,6-dimethoxyphenol
CID 103917436
N-[(1-ethylpyrrol-3-yl)methyl]-2,4-dimethylcyclohexan-1-amine
CID 66414811

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-N-[(1-ethylpyrrol-3-yl)methyl]cyclobutan-1-amine?
The IUPAC name of 3-ethoxy-N-[(1-ethylpyrrol-3-yl)methyl]cyclobutan-1-amine (CID 103270597) is 3-ethoxy-N-[(1-ethylpyrrol-3-yl)methyl]cyclobutan-1-amine.
What is the SMILES notation for 3-ethoxy-N-[(1-ethylpyrrol-3-yl)methyl]cyclobutan-1-amine?
The canonical SMILES for 3-ethoxy-N-[(1-ethylpyrrol-3-yl)methyl]cyclobutan-1-amine is CCOC1CC(NCc2ccn(CC)c2)C1.
What is the InChIKey of 3-ethoxy-N-[(1-ethylpyrrol-3-yl)methyl]cyclobutan-1-amine?
The InChIKey is RQIWQYGTJYNGQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O/c1-3-15-6-5-11(10-15)9-14-12-7-13(8-12)16-4-2/h5-6,10,12-14H,3-4,7-9H2,1-2H3.
What are the key properties of 3-ethoxy-N-[(1-ethylpyrrol-3-yl)methyl]cyclobutan-1-amine?
3-ethoxy-N-[(1-ethylpyrrol-3-yl)methyl]cyclobutan-1-amine has a molecular weight of 222.33 g/mol, XLogP of 2.17, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-N-[(1-ethylpyrrol-3-yl)methyl]cyclobutan-1-amine is sourced from PubChem (CID 103270597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).