N-benzyl-N-methyl-2-(methylaminomethyl)cyclobutan-1-amine

C14H22N2 — CID 80998660

IUPACN-benzyl-N-methyl-2-(methylaminomethyl)cyclobutan-1-amine
SMILESCNCC1CCC1N(C)Cc1ccccc1
InChIInChI=1S/C14H22N2/c1-15-10-13-8-9-14(13)16(2)11-12-6-4-3-5-7-12/h3-7,13-15H,8-11H2,1-2H3
InChIKeyWRKGVEMQPIEQQE-UHFFFAOYSA-N
MW218.34 g/mol
LogP2.12
Rot. Bonds5

About N-benzyl-N-methyl-2-(methylaminomethyl)cyclobutan-1-amine

N-benzyl-N-methyl-2-(methylaminomethyl)cyclobutan-1-amine (PubChem CID 80998660) has the molecular formula C14H22N2 and a molecular weight of 218.34 g/mol. Its IUPAC name is N-benzyl-N-methyl-2-(methylaminomethyl)cyclobutan-1-amine.

Molecular Properties

Compound NameN-benzyl-N-methyl-2-(methylaminomethyl)cyclobutan-1-amine
PubChem CID80998660
Molecular FormulaC14H22N2
Molecular Weight218.34 g/mol
Exact Mass218.18
IUPAC NameN-benzyl-N-methyl-2-(methylaminomethyl)cyclobutan-1-amine
SMILESCNCC1CCC1N(C)Cc1ccccc1
InChIInChI=1S/C14H22N2/c1-15-10-13-8-9-14(13)16(2)11-12-6-4-3-5-7-12/h3-7,13-15H,8-11H2,1-2H3
InChIKeyWRKGVEMQPIEQQE-UHFFFAOYSA-N
XLogP2.12
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-methyl-2-(methylaminomethyl)cyclobutan-1-amine?
The IUPAC name of N-benzyl-N-methyl-2-(methylaminomethyl)cyclobutan-1-amine (CID 80998660) is N-benzyl-N-methyl-2-(methylaminomethyl)cyclobutan-1-amine.
What is the SMILES notation for N-benzyl-N-methyl-2-(methylaminomethyl)cyclobutan-1-amine?
The canonical SMILES for N-benzyl-N-methyl-2-(methylaminomethyl)cyclobutan-1-amine is CNCC1CCC1N(C)Cc1ccccc1.
What is the InChIKey of N-benzyl-N-methyl-2-(methylaminomethyl)cyclobutan-1-amine?
The InChIKey is WRKGVEMQPIEQQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2/c1-15-10-13-8-9-14(13)16(2)11-12-6-4-3-5-7-12/h3-7,13-15H,8-11H2,1-2H3.
What are the key properties of N-benzyl-N-methyl-2-(methylaminomethyl)cyclobutan-1-amine?
N-benzyl-N-methyl-2-(methylaminomethyl)cyclobutan-1-amine has a molecular weight of 218.34 g/mol, XLogP of 2.12, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-methyl-2-(methylaminomethyl)cyclobutan-1-amine is sourced from PubChem (CID 80998660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).