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

C13H23N3 — CID 115246235

IUPACN-methyl-N-[[1-(methylaminomethyl)cyclobutyl]methyl]-1-(1H-pyrrol-2-yl)methanamine
SMILESCNCC1(CN(C)Cc2ccc[nH]2)CCC1
InChIInChI=1S/C13H23N3/c1-14-10-13(6-4-7-13)11-16(2)9-12-5-3-8-15-12/h3,5,8,14-15H,4,6-7,9-11H2,1-2H3
InChIKeyRJXVEBUPJWQXBL-UHFFFAOYSA-N
MW221.35 g/mol
LogP1.84
Rot. Bonds6

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

N-methyl-N-[[1-(methylaminomethyl)cyclobutyl]methyl]-1-(1H-pyrrol-2-yl)methanamine (PubChem CID 115246235) has the molecular formula C13H23N3 and a molecular weight of 221.35 g/mol. Its IUPAC name is N-methyl-N-[[1-(methylaminomethyl)cyclobutyl]methyl]-1-(1H-pyrrol-2-yl)methanamine.

Molecular Properties

Compound NameN-methyl-N-[[1-(methylaminomethyl)cyclobutyl]methyl]-1-(1H-pyrrol-2-yl)methanamine
PubChem CID115246235
Molecular FormulaC13H23N3
Molecular Weight221.35 g/mol
Exact Mass221.19
IUPAC NameN-methyl-N-[[1-(methylaminomethyl)cyclobutyl]methyl]-1-(1H-pyrrol-2-yl)methanamine
SMILESCNCC1(CN(C)Cc2ccc[nH]2)CCC1
InChIInChI=1S/C13H23N3/c1-14-10-13(6-4-7-13)11-16(2)9-12-5-3-8-15-12/h3,5,8,14-15H,4,6-7,9-11H2,1-2H3
InChIKeyRJXVEBUPJWQXBL-UHFFFAOYSA-N
XLogP1.84
TPSA31.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.35
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-N-[[1-(methylaminomethyl)cyclobutyl]methyl]-1H-pyrrol-2-amine
CID 115246125
N-methyl-N-[[1-(methylaminomethyl)cyclopentyl]methyl]-1-phenylmethanamine
CID 55052101
N-methyl-N-[[1-(methylaminomethyl)cyclobutyl]methyl]-1-pyridin-2-ylmethanamine
CID 115246245
1-(furan-2-yl)-N-methyl-N-[[1-(methylaminomethyl)cyclohexyl]methyl]methanamine
CID 62258015
1-(5-bromothiophen-2-yl)-N-methyl-N-[[1-(methylaminomethyl)cyclobutyl]methyl]methanamine
CID 115246231
N-[[1-(methylaminomethyl)cyclopropyl]methyl]-1H-pyrrol-2-amine
CID 115244513
1-(3-methoxyphenyl)-N-methyl-N-[[1-(methylaminomethyl)cyclopentyl]methyl]methanamine
CID 62270444
1-(5-chlorothiophen-2-yl)-N-methyl-N-[[1-(methylaminomethyl)cyclohexyl]methyl]methanamine
CID 62256779
1-(4-chlorophenyl)-N-methyl-N-[[1-(methylaminomethyl)cyclopropyl]methyl]methanamine
CID 115244797
N-[[1-(aminomethyl)cyclopropyl]methyl]-N-methyl-2-(1H-pyrrol-2-yl)ethanamine
CID 115244397
3-[(1-hydroxycyclobutyl)methyl]-1,2-dimethyl-1-(1H-pyrrol-2-ylmethyl)guanidine
CID 119155989
1-cyano-N-methyl-N-(1H-pyrrol-2-ylmethyl)cyclobutane-1-carboxamide
CID 115183346

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[[1-(methylaminomethyl)cyclobutyl]methyl]-1-(1H-pyrrol-2-yl)methanamine?
The IUPAC name of N-methyl-N-[[1-(methylaminomethyl)cyclobutyl]methyl]-1-(1H-pyrrol-2-yl)methanamine (CID 115246235) is N-methyl-N-[[1-(methylaminomethyl)cyclobutyl]methyl]-1-(1H-pyrrol-2-yl)methanamine.
What is the SMILES notation for N-methyl-N-[[1-(methylaminomethyl)cyclobutyl]methyl]-1-(1H-pyrrol-2-yl)methanamine?
The canonical SMILES for N-methyl-N-[[1-(methylaminomethyl)cyclobutyl]methyl]-1-(1H-pyrrol-2-yl)methanamine is CNCC1(CN(C)Cc2ccc[nH]2)CCC1.
What is the InChIKey of N-methyl-N-[[1-(methylaminomethyl)cyclobutyl]methyl]-1-(1H-pyrrol-2-yl)methanamine?
The InChIKey is RJXVEBUPJWQXBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3/c1-14-10-13(6-4-7-13)11-16(2)9-12-5-3-8-15-12/h3,5,8,14-15H,4,6-7,9-11H2,1-2H3.
What are the key properties of N-methyl-N-[[1-(methylaminomethyl)cyclobutyl]methyl]-1-(1H-pyrrol-2-yl)methanamine?
N-methyl-N-[[1-(methylaminomethyl)cyclobutyl]methyl]-1-(1H-pyrrol-2-yl)methanamine has a molecular weight of 221.35 g/mol, XLogP of 1.84, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[[1-(methylaminomethyl)cyclobutyl]methyl]-1-(1H-pyrrol-2-yl)methanamine is sourced from PubChem (CID 115246235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).