N-methyl-1-[3-methyl-1-(3-methylbutyl)pyrrolidin-3-yl]methanamine

C12H26N2 — CID 106318615

IUPACN-methyl-1-[3-methyl-1-(3-methylbutyl)pyrrolidin-3-yl]methanamine
SMILESCNCC1(C)CCN(CCC(C)C)C1
InChIInChI=1S/C12H26N2/c1-11(2)5-7-14-8-6-12(3,10-14)9-13-4/h11,13H,5-10H2,1-4H3
InChIKeyVALNCWGNVNEITF-UHFFFAOYSA-N
MW198.35 g/mol
LogP1.96
Rot. Bonds5

About N-methyl-1-[3-methyl-1-(3-methylbutyl)pyrrolidin-3-yl]methanamine

N-methyl-1-[3-methyl-1-(3-methylbutyl)pyrrolidin-3-yl]methanamine (PubChem CID 106318615) has the molecular formula C12H26N2 and a molecular weight of 198.35 g/mol. Its IUPAC name is N-methyl-1-[3-methyl-1-(3-methylbutyl)pyrrolidin-3-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[3-methyl-1-(3-methylbutyl)pyrrolidin-3-yl]methanamine
PubChem CID106318615
Molecular FormulaC12H26N2
Molecular Weight198.35 g/mol
Exact Mass198.21
IUPAC NameN-methyl-1-[3-methyl-1-(3-methylbutyl)pyrrolidin-3-yl]methanamine
SMILESCNCC1(C)CCN(CCC(C)C)C1
InChIInChI=1S/C12H26N2/c1-11(2)5-7-14-8-6-12(3,10-14)9-13-4/h11,13H,5-10H2,1-4H3
InChIKeyVALNCWGNVNEITF-UHFFFAOYSA-N
XLogP1.96
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.35
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-methyl-1-[3-methyl-1-(3-methylbutyl)pyrrolidin-3-yl]methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N,N-dimethyl-2-[3-methyl-3-(methylaminomethyl)pyrrolidin-1-yl]ethanamine
CID 106318786
N-methyl-1-[3-methyl-1-(4,4,4-trifluorobutyl)pyrrolidin-3-yl]methanamine
CID 106318606
N-methyl-1-[3-methyl-1-(2-propoxyethyl)pyrrolidin-3-yl]methanamine
CID 106318664
N-methyl-1-[3-methyl-1-(3-methylsulfonylpropyl)pyrrolidin-3-yl]methanamine
CID 106318641
N-methyl-1-[3-methyl-1-(2-phenylethyl)pyrrolidin-3-yl]methanamine
CID 106318668
N-methyl-1-[3-methyl-1-[2-(2-methylimidazol-1-yl)ethyl]pyrrolidin-3-yl]methanamine
CID 106318634
N-methyl-1-[3-methyl-1-[3-(2,2,2-trifluoroethoxy)propyl]pyrrolidin-3-yl]methanamine
CID 106318659
N-methyl-1-[3-methyl-1-(2-thiophen-3-ylethyl)pyrrolidin-3-yl]methanamine
CID 106318742
N-methyl-1-[3-methyl-1-(3-phenoxypropyl)pyrrolidin-3-yl]methanamine
CID 106318811
4,4-difluoro-1-(3-methylbutyl)piperidine
CID 20811830
1-[1-[(3,5-dimethylphenyl)methyl]-3-methylpyrrolidin-3-yl]-N-methylmethanamine
CID 106318622
3,3-difluoro-1-(3-methylbutyl)piperidine
CID 59748001

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[3-methyl-1-(3-methylbutyl)pyrrolidin-3-yl]methanamine?
The IUPAC name of N-methyl-1-[3-methyl-1-(3-methylbutyl)pyrrolidin-3-yl]methanamine (CID 106318615) is N-methyl-1-[3-methyl-1-(3-methylbutyl)pyrrolidin-3-yl]methanamine.
What is the SMILES notation for N-methyl-1-[3-methyl-1-(3-methylbutyl)pyrrolidin-3-yl]methanamine?
The canonical SMILES for N-methyl-1-[3-methyl-1-(3-methylbutyl)pyrrolidin-3-yl]methanamine is CNCC1(C)CCN(CCC(C)C)C1.
What is the InChIKey of N-methyl-1-[3-methyl-1-(3-methylbutyl)pyrrolidin-3-yl]methanamine?
The InChIKey is VALNCWGNVNEITF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2/c1-11(2)5-7-14-8-6-12(3,10-14)9-13-4/h11,13H,5-10H2,1-4H3.
What are the key properties of N-methyl-1-[3-methyl-1-(3-methylbutyl)pyrrolidin-3-yl]methanamine?
N-methyl-1-[3-methyl-1-(3-methylbutyl)pyrrolidin-3-yl]methanamine has a molecular weight of 198.35 g/mol, XLogP of 1.96, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[3-methyl-1-(3-methylbutyl)pyrrolidin-3-yl]methanamine is sourced from PubChem (CID 106318615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).