2-(diethylaminomethyl)-N-[(1-methylpiperidin-2-yl)methyl]aniline

C18H31N3 — CID 62658648

IUPAC2-(diethylaminomethyl)-N-[(1-methylpiperidin-2-yl)methyl]aniline
SMILESCCN(CC)Cc1ccccc1NCC1CCCCN1C
InChIInChI=1S/C18H31N3/c1-4-21(5-2)15-16-10-6-7-12-18(16)19-14-17-11-8-9-13-20(17)3/h6-7,10,12,17,19H,4-5,8-9,11,13-15H2,1-3H3
InChIKeyJGOPGEFTJLZGRI-UHFFFAOYSA-N
MW289.47 g/mol
LogP3.42
Rot. Bonds7

About 2-(diethylaminomethyl)-N-[(1-methylpiperidin-2-yl)methyl]aniline

2-(diethylaminomethyl)-N-[(1-methylpiperidin-2-yl)methyl]aniline (PubChem CID 62658648) has the molecular formula C18H31N3 and a molecular weight of 289.47 g/mol. Its IUPAC name is 2-(diethylaminomethyl)-N-[(1-methylpiperidin-2-yl)methyl]aniline.

Molecular Properties

Compound Name2-(diethylaminomethyl)-N-[(1-methylpiperidin-2-yl)methyl]aniline
PubChem CID62658648
Molecular FormulaC18H31N3
Molecular Weight289.47 g/mol
Exact Mass289.25
IUPAC Name2-(diethylaminomethyl)-N-[(1-methylpiperidin-2-yl)methyl]aniline
SMILESCCN(CC)Cc1ccccc1NCC1CCCCN1C
InChIInChI=1S/C18H31N3/c1-4-21(5-2)15-16-10-6-7-12-18(16)19-14-17-11-8-9-13-20(17)3/h6-7,10,12,17,19H,4-5,8-9,11,13-15H2,1-3H3
InChIKeyJGOPGEFTJLZGRI-UHFFFAOYSA-N
XLogP3.42
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.47
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(cyclopentylmethyl)-2-(diethylaminomethyl)aniline
CID 55034710
N-[(1-methylpiperidin-2-yl)methyl]-2-(pyrazol-1-ylmethyl)aniline
CID 62655278
2-(diethylaminomethyl)-N-(oxan-4-ylmethyl)aniline
CID 62386684
2-(difluoromethylsulfanyl)-N-[(1-methylpiperidin-2-yl)methyl]aniline
CID 55100178
2-methoxy-N-[(1-methylpyrrolidin-2-yl)methyl]aniline
CID 83950521
1-[2-[(1-methylpiperidin-2-yl)methylamino]phenyl]-3-naphthalen-1-ylurea
CID 70821492
2-(diethylaminomethyl)-N-(2-methylpropyl)aniline
CID 43729309
ethyl 2-amino-3-[(1-methylpiperidin-2-yl)methylamino]benzoate
CID 115545628
N-(1-cyclopentylethyl)-2-(diethylaminomethyl)aniline
CID 62633352
2-amino-3-[(1-methylpiperidin-2-yl)methylamino]benzonitrile
CID 104716575
N-[(2-aminophenyl)methyl]-2-[2-(1-methylpiperidin-2-yl)ethyl]aniline
CID 59861095
N-[(1-methylpiperidin-2-yl)methyl]-2,1,3-benzoselenadiazol-4-amine
CID 62658263

Frequently Asked Questions

What is the IUPAC name of 2-(diethylaminomethyl)-N-[(1-methylpiperidin-2-yl)methyl]aniline?
The IUPAC name of 2-(diethylaminomethyl)-N-[(1-methylpiperidin-2-yl)methyl]aniline (CID 62658648) is 2-(diethylaminomethyl)-N-[(1-methylpiperidin-2-yl)methyl]aniline.
What is the SMILES notation for 2-(diethylaminomethyl)-N-[(1-methylpiperidin-2-yl)methyl]aniline?
The canonical SMILES for 2-(diethylaminomethyl)-N-[(1-methylpiperidin-2-yl)methyl]aniline is CCN(CC)Cc1ccccc1NCC1CCCCN1C.
What is the InChIKey of 2-(diethylaminomethyl)-N-[(1-methylpiperidin-2-yl)methyl]aniline?
The InChIKey is JGOPGEFTJLZGRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N3/c1-4-21(5-2)15-16-10-6-7-12-18(16)19-14-17-11-8-9-13-20(17)3/h6-7,10,12,17,19H,4-5,8-9,11,13-15H2,1-3H3.
What are the key properties of 2-(diethylaminomethyl)-N-[(1-methylpiperidin-2-yl)methyl]aniline?
2-(diethylaminomethyl)-N-[(1-methylpiperidin-2-yl)methyl]aniline has a molecular weight of 289.47 g/mol, XLogP of 3.42, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethylaminomethyl)-N-[(1-methylpiperidin-2-yl)methyl]aniline is sourced from PubChem (CID 62658648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).