N-(2-ethylhexyl)-N-methylpyrrolidin-3-amine

C13H28N2 — CID 63301835

IUPACN-(2-ethylhexyl)-N-methylpyrrolidin-3-amine
SMILESCCCCC(CC)CN(C)C1CCNC1
InChIInChI=1S/C13H28N2/c1-4-6-7-12(5-2)11-15(3)13-8-9-14-10-13/h12-14H,4-11H2,1-3H3
InChIKeyPOJSDKSAGYMUQW-UHFFFAOYSA-N
MW212.38 g/mol
LogP2.50
Rot. Bonds7

About N-(2-ethylhexyl)-N-methylpyrrolidin-3-amine

N-(2-ethylhexyl)-N-methylpyrrolidin-3-amine (PubChem CID 63301835) has the molecular formula C13H28N2 and a molecular weight of 212.38 g/mol. Its IUPAC name is N-(2-ethylhexyl)-N-methylpyrrolidin-3-amine.

Molecular Properties

Compound NameN-(2-ethylhexyl)-N-methylpyrrolidin-3-amine
PubChem CID63301835
Molecular FormulaC13H28N2
Molecular Weight212.38 g/mol
Exact Mass212.23
IUPAC NameN-(2-ethylhexyl)-N-methylpyrrolidin-3-amine
SMILESCCCCC(CC)CN(C)C1CCNC1
InChIInChI=1S/C13H28N2/c1-4-6-7-12(5-2)11-15(3)13-8-9-14-10-13/h12-14H,4-11H2,1-3H3
InChIKeyPOJSDKSAGYMUQW-UHFFFAOYSA-N
XLogP2.50
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.38
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-(2-ethylhexyl)-N-methylpyrrolidin-3-amine 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-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-N-methylpyrrolidin-3-amine
CID 104565137
N-ethyl-N-nonan-2-ylpyrrolidin-3-amine
CID 63299683
N-ethyl-N-octan-2-ylpyrrolidin-3-amine
CID 63299767
3-(2-ethylhexyl)azepane
CID 104680647
1,1,2,2-tetrakis(2-ethylhexyl)hydrazine
CID 123650144
methane;(3R)-N-methyl-N-(3,3,3-trifluoropropyl)pyrrolidin-3-amine
CID 157275327
N-methyl-N-(2-methylpropyl)piperidin-3-amine
CID 43317078
4-[methyl(pyrrolidin-3-yl)amino]butanenitrile
CID 63301779
N,2-diethyl-N-piperidin-4-ylhexanamide
CID 54923588
N-butyl-N-methylpiperidin-4-amine;dihydrochloride
CID 53410849
N-ethyl-N-pentylpyrrolidin-3-amine
CID 63299512
2-ethyl-N,N-bis(2-ethylhexyl)hexan-1-amine;hydrochloride
CID 23468552

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylhexyl)-N-methylpyrrolidin-3-amine?
The IUPAC name of N-(2-ethylhexyl)-N-methylpyrrolidin-3-amine (CID 63301835) is N-(2-ethylhexyl)-N-methylpyrrolidin-3-amine.
What is the SMILES notation for N-(2-ethylhexyl)-N-methylpyrrolidin-3-amine?
The canonical SMILES for N-(2-ethylhexyl)-N-methylpyrrolidin-3-amine is CCCCC(CC)CN(C)C1CCNC1.
What is the InChIKey of N-(2-ethylhexyl)-N-methylpyrrolidin-3-amine?
The InChIKey is POJSDKSAGYMUQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2/c1-4-6-7-12(5-2)11-15(3)13-8-9-14-10-13/h12-14H,4-11H2,1-3H3.
What are the key properties of N-(2-ethylhexyl)-N-methylpyrrolidin-3-amine?
N-(2-ethylhexyl)-N-methylpyrrolidin-3-amine has a molecular weight of 212.38 g/mol, XLogP of 2.50, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylhexyl)-N-methylpyrrolidin-3-amine is sourced from PubChem (CID 63301835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).