1-cyclobutyl-N-methyl-N-[(3-methylpyrrolidin-3-yl)methyl]methanamine

C12H24N2 — CID 63143005

IUPAC1-cyclobutyl-N-methyl-N-[(3-methylpyrrolidin-3-yl)methyl]methanamine
SMILESCN(CC1CCC1)CC1(C)CCNC1
InChIInChI=1S/C12H24N2/c1-12(6-7-13-9-12)10-14(2)8-11-4-3-5-11/h11,13H,3-10H2,1-2H3
InChIKeyZUPYCUIFMRVKAX-UHFFFAOYSA-N
MW196.34 g/mol
LogP1.72
Rot. Bonds4

About 1-cyclobutyl-N-methyl-N-[(3-methylpyrrolidin-3-yl)methyl]methanamine

1-cyclobutyl-N-methyl-N-[(3-methylpyrrolidin-3-yl)methyl]methanamine (PubChem CID 63143005) has the molecular formula C12H24N2 and a molecular weight of 196.34 g/mol. Its IUPAC name is 1-cyclobutyl-N-methyl-N-[(3-methylpyrrolidin-3-yl)methyl]methanamine.

Molecular Properties

Compound Name1-cyclobutyl-N-methyl-N-[(3-methylpyrrolidin-3-yl)methyl]methanamine
PubChem CID63143005
Molecular FormulaC12H24N2
Molecular Weight196.34 g/mol
Exact Mass196.19
IUPAC Name1-cyclobutyl-N-methyl-N-[(3-methylpyrrolidin-3-yl)methyl]methanamine
SMILESCN(CC1CCC1)CC1(C)CCNC1
InChIInChI=1S/C12H24N2/c1-12(6-7-13-9-12)10-14(2)8-11-4-3-5-11/h11,13H,3-10H2,1-2H3
InChIKeyZUPYCUIFMRVKAX-UHFFFAOYSA-N
XLogP1.72
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.34
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-cyclobutyl-N-methyl-N-[(3-methylpyrrolidin-3-yl)methyl]methanamine?
The IUPAC name of 1-cyclobutyl-N-methyl-N-[(3-methylpyrrolidin-3-yl)methyl]methanamine (CID 63143005) is 1-cyclobutyl-N-methyl-N-[(3-methylpyrrolidin-3-yl)methyl]methanamine.
What is the SMILES notation for 1-cyclobutyl-N-methyl-N-[(3-methylpyrrolidin-3-yl)methyl]methanamine?
The canonical SMILES for 1-cyclobutyl-N-methyl-N-[(3-methylpyrrolidin-3-yl)methyl]methanamine is CN(CC1CCC1)CC1(C)CCNC1.
What is the InChIKey of 1-cyclobutyl-N-methyl-N-[(3-methylpyrrolidin-3-yl)methyl]methanamine?
The InChIKey is ZUPYCUIFMRVKAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2/c1-12(6-7-13-9-12)10-14(2)8-11-4-3-5-11/h11,13H,3-10H2,1-2H3.
What are the key properties of 1-cyclobutyl-N-methyl-N-[(3-methylpyrrolidin-3-yl)methyl]methanamine?
1-cyclobutyl-N-methyl-N-[(3-methylpyrrolidin-3-yl)methyl]methanamine has a molecular weight of 196.34 g/mol, XLogP of 1.72, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclobutyl-N-methyl-N-[(3-methylpyrrolidin-3-yl)methyl]methanamine is sourced from PubChem (CID 63143005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).