N-methyl-N-(pyrrolidin-2-ylmethyl)aniline

C12H18N2 — CID 13275117

IUPACN-methyl-N-(pyrrolidin-2-ylmethyl)aniline
SMILESCN(CC1CCCN1)c1ccccc1
InChIInChI=1S/C12H18N2/c1-14(10-11-6-5-9-13-11)12-7-3-2-4-8-12/h2-4,7-8,11,13H,5-6,9-10H2,1H3
InChIKeyLKKBLTKKWIBCKH-UHFFFAOYSA-N
MW190.29 g/mol
LogP1.87
Rot. Bonds3

About N-methyl-N-(pyrrolidin-2-ylmethyl)aniline

N-methyl-N-(pyrrolidin-2-ylmethyl)aniline (PubChem CID 13275117) has the molecular formula C12H18N2 and a molecular weight of 190.29 g/mol. Its IUPAC name is N-methyl-N-(pyrrolidin-2-ylmethyl)aniline.

Molecular Properties

Compound NameN-methyl-N-(pyrrolidin-2-ylmethyl)aniline
PubChem CID13275117
Molecular FormulaC12H18N2
Molecular Weight190.29 g/mol
Exact Mass190.15
IUPAC NameN-methyl-N-(pyrrolidin-2-ylmethyl)aniline
SMILESCN(CC1CCCN1)c1ccccc1
InChIInChI=1S/C12H18N2/c1-14(10-11-6-5-9-13-11)12-7-3-2-4-8-12/h2-4,7-8,11,13H,5-6,9-10H2,1H3
InChIKeyLKKBLTKKWIBCKH-UHFFFAOYSA-N
XLogP1.87
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.29
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(pyrrolidin-2-ylmethyl)aniline?
The IUPAC name of N-methyl-N-(pyrrolidin-2-ylmethyl)aniline (CID 13275117) is N-methyl-N-(pyrrolidin-2-ylmethyl)aniline.
What is the SMILES notation for N-methyl-N-(pyrrolidin-2-ylmethyl)aniline?
The canonical SMILES for N-methyl-N-(pyrrolidin-2-ylmethyl)aniline is CN(CC1CCCN1)c1ccccc1.
What is the InChIKey of N-methyl-N-(pyrrolidin-2-ylmethyl)aniline?
The InChIKey is LKKBLTKKWIBCKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2/c1-14(10-11-6-5-9-13-11)12-7-3-2-4-8-12/h2-4,7-8,11,13H,5-6,9-10H2,1H3.
What are the key properties of N-methyl-N-(pyrrolidin-2-ylmethyl)aniline?
N-methyl-N-(pyrrolidin-2-ylmethyl)aniline has a molecular weight of 190.29 g/mol, XLogP of 1.87, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(pyrrolidin-2-ylmethyl)aniline is sourced from PubChem (CID 13275117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).