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

C12H21N3 — CID 115246125

IUPACN-methyl-N-[[1-(methylaminomethyl)cyclobutyl]methyl]-1H-pyrrol-2-amine
SMILESCNCC1(CN(C)c2ccc[nH]2)CCC1
InChIInChI=1S/C12H21N3/c1-13-9-12(6-4-7-12)10-15(2)11-5-3-8-14-11/h3,5,8,13-14H,4,6-7,9-10H2,1-2H3
InChIKeyWRQRBQOMRNFQEJ-UHFFFAOYSA-N
MW207.32 g/mol
LogP1.84
Rot. Bonds5

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

N-methyl-N-[[1-(methylaminomethyl)cyclobutyl]methyl]-1H-pyrrol-2-amine (PubChem CID 115246125) has the molecular formula C12H21N3 and a molecular weight of 207.32 g/mol. Its IUPAC name is N-methyl-N-[[1-(methylaminomethyl)cyclobutyl]methyl]-1H-pyrrol-2-amine.

Molecular Properties

Compound NameN-methyl-N-[[1-(methylaminomethyl)cyclobutyl]methyl]-1H-pyrrol-2-amine
PubChem CID115246125
Molecular FormulaC12H21N3
Molecular Weight207.32 g/mol
Exact Mass207.17
IUPAC NameN-methyl-N-[[1-(methylaminomethyl)cyclobutyl]methyl]-1H-pyrrol-2-amine
SMILESCNCC1(CN(C)c2ccc[nH]2)CCC1
InChIInChI=1S/C12H21N3/c1-13-9-12(6-4-7-12)10-15(2)11-5-3-8-14-11/h3,5,8,13-14H,4,6-7,9-10H2,1-2H3
InChIKeyWRQRBQOMRNFQEJ-UHFFFAOYSA-N
XLogP1.84
TPSA31.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-N-[[1-(methylaminomethyl)cyclobutyl]methyl]-1-(1H-pyrrol-2-yl)methanamine
CID 115246235
N,3,4-trimethyl-N-[[1-(methylaminomethyl)cyclobutyl]methyl]aniline
CID 115246100
N-[[1-(methylaminomethyl)cyclopropyl]methyl]-1H-pyrrol-2-amine
CID 115244513
2,5-difluoro-N-methyl-N-[[1-(methylaminomethyl)cyclobutyl]methyl]aniline
CID 115246121
4-methoxy-N-methyl-N-[[1-(methylaminomethyl)cyclopentyl]methyl]aniline
CID 55056003
2-[methyl(1H-pyrrol-2-yl)amino]acetonitrile
CID 115130858
3-[[methyl(1H-pyrrol-2-yl)amino]methyl]oxetane-3-carbonitrile
CID 115247892
N-methyl-N-[[1-(methylaminomethyl)cyclopentyl]methyl]-1-phenylmethanamine
CID 55052101
2-fluoro-N-methyl-N-[[1-(methylaminomethyl)cyclopropyl]methyl]aniline
CID 115244661
2-methoxy-N,5-dimethyl-N-[[1-(methylaminomethyl)cyclobutyl]methyl]aniline
CID 115246108
N-methyl-N-[[1-(methylaminomethyl)cyclobutyl]methyl]-1-pyridin-2-ylmethanamine
CID 115246245
N-methyl-N-[[1-(methylaminomethyl)cyclopentyl]methyl]propan-2-amine
CID 62263942

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[[1-(methylaminomethyl)cyclobutyl]methyl]-1H-pyrrol-2-amine?
The IUPAC name of N-methyl-N-[[1-(methylaminomethyl)cyclobutyl]methyl]-1H-pyrrol-2-amine (CID 115246125) is N-methyl-N-[[1-(methylaminomethyl)cyclobutyl]methyl]-1H-pyrrol-2-amine.
What is the SMILES notation for N-methyl-N-[[1-(methylaminomethyl)cyclobutyl]methyl]-1H-pyrrol-2-amine?
The canonical SMILES for N-methyl-N-[[1-(methylaminomethyl)cyclobutyl]methyl]-1H-pyrrol-2-amine is CNCC1(CN(C)c2ccc[nH]2)CCC1.
What is the InChIKey of N-methyl-N-[[1-(methylaminomethyl)cyclobutyl]methyl]-1H-pyrrol-2-amine?
The InChIKey is WRQRBQOMRNFQEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3/c1-13-9-12(6-4-7-12)10-15(2)11-5-3-8-14-11/h3,5,8,13-14H,4,6-7,9-10H2,1-2H3.
What are the key properties of N-methyl-N-[[1-(methylaminomethyl)cyclobutyl]methyl]-1H-pyrrol-2-amine?
N-methyl-N-[[1-(methylaminomethyl)cyclobutyl]methyl]-1H-pyrrol-2-amine has a molecular weight of 207.32 g/mol, XLogP of 1.84, 5 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]-1H-pyrrol-2-amine is sourced from PubChem (CID 115246125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).