2-methyl-N-[[2-(3-methylpyrrolidin-1-yl)cyclobutyl]methyl]propan-1-amine

C14H28N2 — CID 80999851

IUPAC2-methyl-N-[[2-(3-methylpyrrolidin-1-yl)cyclobutyl]methyl]propan-1-amine
SMILESCC(C)CNCC1CCC1N1CCC(C)C1
InChIInChI=1S/C14H28N2/c1-11(2)8-15-9-13-4-5-14(13)16-7-6-12(3)10-16/h11-15H,4-10H2,1-3H3
InChIKeyWDOKBBJGRMPZJJ-UHFFFAOYSA-N
MW224.39 g/mol
LogP2.35
Rot. Bonds5

About 2-methyl-N-[[2-(3-methylpyrrolidin-1-yl)cyclobutyl]methyl]propan-1-amine

2-methyl-N-[[2-(3-methylpyrrolidin-1-yl)cyclobutyl]methyl]propan-1-amine (PubChem CID 80999851) has the molecular formula C14H28N2 and a molecular weight of 224.39 g/mol. Its IUPAC name is 2-methyl-N-[[2-(3-methylpyrrolidin-1-yl)cyclobutyl]methyl]propan-1-amine.

Molecular Properties

Compound Name2-methyl-N-[[2-(3-methylpyrrolidin-1-yl)cyclobutyl]methyl]propan-1-amine
PubChem CID80999851
Molecular FormulaC14H28N2
Molecular Weight224.39 g/mol
Exact Mass224.23
IUPAC Name2-methyl-N-[[2-(3-methylpyrrolidin-1-yl)cyclobutyl]methyl]propan-1-amine
SMILESCC(C)CNCC1CCC1N1CCC(C)C1
InChIInChI=1S/C14H28N2/c1-11(2)8-15-9-13-4-5-14(13)16-7-6-12(3)10-16/h11-15H,4-10H2,1-3H3
InChIKeyWDOKBBJGRMPZJJ-UHFFFAOYSA-N
XLogP2.35
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.39
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)cyclobutyl]methyl]-2-methylpropan-1-amine
CID 81005677
N-[[2-(4-ethoxypiperidin-1-yl)cyclobutyl]methyl]-2-methylpropan-1-amine
CID 80998752
N-[[2-(4-ethylpiperazin-1-yl)cyclobutyl]methyl]-2-methylpropan-1-amine
CID 80998209
N-[[2-(4,4-dimethylazepan-1-yl)cyclobutyl]methyl]-2-methylpropan-1-amine
CID 81004620
2-methyl-N-[[2-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)cyclobutyl]methyl]propan-1-amine
CID 80999782
N-[[1-(2-ethylcyclohexyl)pyrrolidin-3-yl]methyl]-2-methylpropan-1-amine
CID 55081632
2-methyl-N-[[2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)cyclobutyl]methyl]propan-1-amine
CID 80999777
N-[[2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)cyclobutyl]methyl]-2-methylpropan-1-amine
CID 80999923
N-[[2-(3,5-dimethylpiperidin-1-yl)cyclobutyl]methyl]propan-2-amine
CID 80998052
N-[[2-(4-methylpiperidin-1-yl)cyclobutyl]methyl]cyclopropanamine
CID 80999601
N-[[1-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)pyrrolidin-3-yl]methyl]-2-methylpropan-1-amine
CID 62512945
2-methyl-N-[(2-methylcyclopropyl)methyl]propan-1-amine
CID 60985078

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[2-(3-methylpyrrolidin-1-yl)cyclobutyl]methyl]propan-1-amine?
The IUPAC name of 2-methyl-N-[[2-(3-methylpyrrolidin-1-yl)cyclobutyl]methyl]propan-1-amine (CID 80999851) is 2-methyl-N-[[2-(3-methylpyrrolidin-1-yl)cyclobutyl]methyl]propan-1-amine.
What is the SMILES notation for 2-methyl-N-[[2-(3-methylpyrrolidin-1-yl)cyclobutyl]methyl]propan-1-amine?
The canonical SMILES for 2-methyl-N-[[2-(3-methylpyrrolidin-1-yl)cyclobutyl]methyl]propan-1-amine is CC(C)CNCC1CCC1N1CCC(C)C1.
What is the InChIKey of 2-methyl-N-[[2-(3-methylpyrrolidin-1-yl)cyclobutyl]methyl]propan-1-amine?
The InChIKey is WDOKBBJGRMPZJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2/c1-11(2)8-15-9-13-4-5-14(13)16-7-6-12(3)10-16/h11-15H,4-10H2,1-3H3.
What are the key properties of 2-methyl-N-[[2-(3-methylpyrrolidin-1-yl)cyclobutyl]methyl]propan-1-amine?
2-methyl-N-[[2-(3-methylpyrrolidin-1-yl)cyclobutyl]methyl]propan-1-amine has a molecular weight of 224.39 g/mol, XLogP of 2.35, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[2-(3-methylpyrrolidin-1-yl)cyclobutyl]methyl]propan-1-amine is sourced from PubChem (CID 80999851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).