N-[[1-(methylaminomethyl)cyclobutyl]methyl]-2-(1H-pyrrol-3-yl)ethanamine

C13H23N3 — CID 115246278

IUPACN-[[1-(methylaminomethyl)cyclobutyl]methyl]-2-(1H-pyrrol-3-yl)ethanamine
SMILESCNCC1(CNCCc2cc[nH]c2)CCC1
InChIInChI=1S/C13H23N3/c1-14-10-13(5-2-6-13)11-16-8-4-12-3-7-15-9-12/h3,7,9,14-16H,2,4-6,8,10-11H2,1H3
InChIKeyXLFWCOSTJDAVPG-UHFFFAOYSA-N
MW221.35 g/mol
LogP1.54
Rot. Bonds7

About N-[[1-(methylaminomethyl)cyclobutyl]methyl]-2-(1H-pyrrol-3-yl)ethanamine

N-[[1-(methylaminomethyl)cyclobutyl]methyl]-2-(1H-pyrrol-3-yl)ethanamine (PubChem CID 115246278) has the molecular formula C13H23N3 and a molecular weight of 221.35 g/mol. Its IUPAC name is N-[[1-(methylaminomethyl)cyclobutyl]methyl]-2-(1H-pyrrol-3-yl)ethanamine.

Molecular Properties

Compound NameN-[[1-(methylaminomethyl)cyclobutyl]methyl]-2-(1H-pyrrol-3-yl)ethanamine
PubChem CID115246278
Molecular FormulaC13H23N3
Molecular Weight221.35 g/mol
Exact Mass221.19
IUPAC NameN-[[1-(methylaminomethyl)cyclobutyl]methyl]-2-(1H-pyrrol-3-yl)ethanamine
SMILESCNCC1(CNCCc2cc[nH]c2)CCC1
InChIInChI=1S/C13H23N3/c1-14-10-13(5-2-6-13)11-16-8-4-12-3-7-15-9-12/h3,7,9,14-16H,2,4-6,8,10-11H2,1H3
InChIKeyXLFWCOSTJDAVPG-UHFFFAOYSA-N
XLogP1.54
TPSA39.85 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.35
LogP ≤ 51.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-N'-[2-(1H-pyrrol-3-yl)ethyl]propane-1,3-diamine
CID 115198001
N-ethyl-2-(1H-pyrrol-3-yl)ethanamine
CID 82490381
N-[(1-propylcyclobutyl)methyl]-1-(1H-pyrrol-3-yl)methanamine
CID 115694288
N-[[1-(methylaminomethyl)cyclopropyl]methyl]-2-(4-methylsulfanylphenyl)ethanamine
CID 115244887
N-(methoxymethyl)-2-(1H-pyrrol-3-yl)ethanamine
CID 115258865
N-methyl-4-[[2-(1H-pyrrol-3-yl)ethylamino]methyl]aniline
CID 115212835
2-(4-methoxy-3-methylphenyl)-N-[[1-(methylaminomethyl)cyclopropyl]methyl]ethanamine
CID 115244866
1-[2-methyl-2-(methylaminomethyl)piperidin-1-yl]-3-(1H-pyrrol-3-yl)propan-1-one
CID 115270824
N-[2-(1H-pyrrol-3-yl)ethyl]formamide
CID 57296445
2-(methylamino)-3-[2-(1H-pyrrol-3-yl)ethylamino]propanoic acid
CID 115256241
1-[(1H-pyrrol-3-ylmethylamino)methyl]cyclobutan-1-ol
CID 115686214
1-(4-fluorophenyl)-N-[[1-(methylaminomethyl)cyclopropyl]methyl]methanamine
CID 115244695

Frequently Asked Questions

What is the IUPAC name of N-[[1-(methylaminomethyl)cyclobutyl]methyl]-2-(1H-pyrrol-3-yl)ethanamine?
The IUPAC name of N-[[1-(methylaminomethyl)cyclobutyl]methyl]-2-(1H-pyrrol-3-yl)ethanamine (CID 115246278) is N-[[1-(methylaminomethyl)cyclobutyl]methyl]-2-(1H-pyrrol-3-yl)ethanamine.
What is the SMILES notation for N-[[1-(methylaminomethyl)cyclobutyl]methyl]-2-(1H-pyrrol-3-yl)ethanamine?
The canonical SMILES for N-[[1-(methylaminomethyl)cyclobutyl]methyl]-2-(1H-pyrrol-3-yl)ethanamine is CNCC1(CNCCc2cc[nH]c2)CCC1.
What is the InChIKey of N-[[1-(methylaminomethyl)cyclobutyl]methyl]-2-(1H-pyrrol-3-yl)ethanamine?
The InChIKey is XLFWCOSTJDAVPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3/c1-14-10-13(5-2-6-13)11-16-8-4-12-3-7-15-9-12/h3,7,9,14-16H,2,4-6,8,10-11H2,1H3.
What are the key properties of N-[[1-(methylaminomethyl)cyclobutyl]methyl]-2-(1H-pyrrol-3-yl)ethanamine?
N-[[1-(methylaminomethyl)cyclobutyl]methyl]-2-(1H-pyrrol-3-yl)ethanamine has a molecular weight of 221.35 g/mol, XLogP of 1.54, 7 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(methylaminomethyl)cyclobutyl]methyl]-2-(1H-pyrrol-3-yl)ethanamine is sourced from PubChem (CID 115246278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).