N-methyl-2-(methylaminomethyl)-N-pentan-2-ylcyclobutan-1-amine

C12H26N2 — CID 80998399

IUPACN-methyl-2-(methylaminomethyl)-N-pentan-2-ylcyclobutan-1-amine
SMILESCCCC(C)N(C)C1CCC1CNC
InChIInChI=1S/C12H26N2/c1-5-6-10(2)14(4)12-8-7-11(12)9-13-3/h10-13H,5-9H2,1-4H3
InChIKeyAGGQWLLVPSPTMH-UHFFFAOYSA-N
MW198.35 g/mol
LogP2.10
Rot. Bonds6

About N-methyl-2-(methylaminomethyl)-N-pentan-2-ylcyclobutan-1-amine

N-methyl-2-(methylaminomethyl)-N-pentan-2-ylcyclobutan-1-amine (PubChem CID 80998399) has the molecular formula C12H26N2 and a molecular weight of 198.35 g/mol. Its IUPAC name is N-methyl-2-(methylaminomethyl)-N-pentan-2-ylcyclobutan-1-amine.

Molecular Properties

Compound NameN-methyl-2-(methylaminomethyl)-N-pentan-2-ylcyclobutan-1-amine
PubChem CID80998399
Molecular FormulaC12H26N2
Molecular Weight198.35 g/mol
Exact Mass198.21
IUPAC NameN-methyl-2-(methylaminomethyl)-N-pentan-2-ylcyclobutan-1-amine
SMILESCCCC(C)N(C)C1CCC1CNC
InChIInChI=1S/C12H26N2/c1-5-6-10(2)14(4)12-8-7-11(12)9-13-3/h10-13H,5-9H2,1-4H3
InChIKeyAGGQWLLVPSPTMH-UHFFFAOYSA-N
XLogP2.10
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.35
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(methylaminomethyl)-N-pentan-2-ylcyclobutan-1-amine?
The IUPAC name of N-methyl-2-(methylaminomethyl)-N-pentan-2-ylcyclobutan-1-amine (CID 80998399) is N-methyl-2-(methylaminomethyl)-N-pentan-2-ylcyclobutan-1-amine.
What is the SMILES notation for N-methyl-2-(methylaminomethyl)-N-pentan-2-ylcyclobutan-1-amine?
The canonical SMILES for N-methyl-2-(methylaminomethyl)-N-pentan-2-ylcyclobutan-1-amine is CCCC(C)N(C)C1CCC1CNC.
What is the InChIKey of N-methyl-2-(methylaminomethyl)-N-pentan-2-ylcyclobutan-1-amine?
The InChIKey is AGGQWLLVPSPTMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2/c1-5-6-10(2)14(4)12-8-7-11(12)9-13-3/h10-13H,5-9H2,1-4H3.
What are the key properties of N-methyl-2-(methylaminomethyl)-N-pentan-2-ylcyclobutan-1-amine?
N-methyl-2-(methylaminomethyl)-N-pentan-2-ylcyclobutan-1-amine has a molecular weight of 198.35 g/mol, XLogP of 2.10, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(methylaminomethyl)-N-pentan-2-ylcyclobutan-1-amine is sourced from PubChem (CID 80998399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).