N-(cyclopentylmethyl)-N-methyl-2-(methylaminomethyl)aniline

C15H24N2 — CID 63630728

IUPACN-(cyclopentylmethyl)-N-methyl-2-(methylaminomethyl)aniline
SMILESCNCc1ccccc1N(C)CC1CCCC1
InChIInChI=1S/C15H24N2/c1-16-11-14-9-5-6-10-15(14)17(2)12-13-7-3-4-8-13/h5-6,9-10,13,16H,3-4,7-8,11-12H2,1-2H3
InChIKeyFBEXQOWRKJQQRU-UHFFFAOYSA-N
MW232.37 g/mol
LogP3.03
Rot. Bonds5

About N-(cyclopentylmethyl)-N-methyl-2-(methylaminomethyl)aniline

N-(cyclopentylmethyl)-N-methyl-2-(methylaminomethyl)aniline (PubChem CID 63630728) has the molecular formula C15H24N2 and a molecular weight of 232.37 g/mol. Its IUPAC name is N-(cyclopentylmethyl)-N-methyl-2-(methylaminomethyl)aniline.

Molecular Properties

Compound NameN-(cyclopentylmethyl)-N-methyl-2-(methylaminomethyl)aniline
PubChem CID63630728
Molecular FormulaC15H24N2
Molecular Weight232.37 g/mol
Exact Mass232.19
IUPAC NameN-(cyclopentylmethyl)-N-methyl-2-(methylaminomethyl)aniline
SMILESCNCc1ccccc1N(C)CC1CCCC1
InChIInChI=1S/C15H24N2/c1-16-11-14-9-5-6-10-15(14)17(2)12-13-7-3-4-8-13/h5-6,9-10,13,16H,3-4,7-8,11-12H2,1-2H3
InChIKeyFBEXQOWRKJQQRU-UHFFFAOYSA-N
XLogP3.03
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.37
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(cyclopentylmethyl)-N-methyl-2-(methylaminomethyl)aniline?
The IUPAC name of N-(cyclopentylmethyl)-N-methyl-2-(methylaminomethyl)aniline (CID 63630728) is N-(cyclopentylmethyl)-N-methyl-2-(methylaminomethyl)aniline.
What is the SMILES notation for N-(cyclopentylmethyl)-N-methyl-2-(methylaminomethyl)aniline?
The canonical SMILES for N-(cyclopentylmethyl)-N-methyl-2-(methylaminomethyl)aniline is CNCc1ccccc1N(C)CC1CCCC1.
What is the InChIKey of N-(cyclopentylmethyl)-N-methyl-2-(methylaminomethyl)aniline?
The InChIKey is FBEXQOWRKJQQRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2/c1-16-11-14-9-5-6-10-15(14)17(2)12-13-7-3-4-8-13/h5-6,9-10,13,16H,3-4,7-8,11-12H2,1-2H3.
What are the key properties of N-(cyclopentylmethyl)-N-methyl-2-(methylaminomethyl)aniline?
N-(cyclopentylmethyl)-N-methyl-2-(methylaminomethyl)aniline has a molecular weight of 232.37 g/mol, XLogP of 3.03, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopentylmethyl)-N-methyl-2-(methylaminomethyl)aniline is sourced from PubChem (CID 63630728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).