2-[(dimethylamino)methyl]-N-[1-(1-methylpiperidin-3-yl)ethyl]aniline

C17H29N3 — CID 43750067

IUPAC2-[(dimethylamino)methyl]-N-[1-(1-methylpiperidin-3-yl)ethyl]aniline
SMILESCC(Nc1ccccc1CN(C)C)C1CCCN(C)C1
InChIInChI=1S/C17H29N3/c1-14(15-9-7-11-20(4)13-15)18-17-10-6-5-8-16(17)12-19(2)3/h5-6,8,10,14-15,18H,7,9,11-13H2,1-4H3
InChIKeyCJWPUIARQHGIMG-UHFFFAOYSA-N
MW275.44 g/mol
LogP2.89
Rot. Bonds5

About 2-[(dimethylamino)methyl]-N-[1-(1-methylpiperidin-3-yl)ethyl]aniline

2-[(dimethylamino)methyl]-N-[1-(1-methylpiperidin-3-yl)ethyl]aniline (PubChem CID 43750067) has the molecular formula C17H29N3 and a molecular weight of 275.44 g/mol. Its IUPAC name is 2-[(dimethylamino)methyl]-N-[1-(1-methylpiperidin-3-yl)ethyl]aniline.

Molecular Properties

Compound Name2-[(dimethylamino)methyl]-N-[1-(1-methylpiperidin-3-yl)ethyl]aniline
PubChem CID43750067
Molecular FormulaC17H29N3
Molecular Weight275.44 g/mol
Exact Mass275.24
IUPAC Name2-[(dimethylamino)methyl]-N-[1-(1-methylpiperidin-3-yl)ethyl]aniline
SMILESCC(Nc1ccccc1CN(C)C)C1CCCN(C)C1
InChIInChI=1S/C17H29N3/c1-14(15-9-7-11-20(4)13-15)18-17-10-6-5-8-16(17)12-19(2)3/h5-6,8,10,14-15,18H,7,9,11-13H2,1-4H3
InChIKeyCJWPUIARQHGIMG-UHFFFAOYSA-N
XLogP2.89
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(1-methylpiperidin-3-yl)ethylamino]benzonitrile
CID 43307860
N-[2-[(dimethylamino)methyl]phenyl]-1-methylazepan-4-amine
CID 65070089
3-iodo-2-methyl-N-[1-(1-methylpiperidin-3-yl)ethyl]aniline
CID 113368981
methyl 2-[1-(1-methylpiperidin-3-yl)ethylamino]benzoate
CID 43308775
N-[1-(1-methylpiperidin-3-yl)ethyl]-5,6,7,8-tetrahydronaphthalen-1-amine
CID 43307588
N-(1-cyclopentylethyl)-2-(diethylaminomethyl)aniline
CID 62633352
N',N'-dimethyl-N-[1-(1-methylpiperidin-3-yl)ethyl]-1-phenylethane-1,2-diamine
CID 43308300
N-[1-(1-methylpiperidin-3-yl)ethyl]-2-(tetrazol-1-yl)aniline
CID 43702094
N-[1-(1-methylpiperidin-3-yl)ethyl]isoquinolin-5-amine
CID 43681268
N-(1-cyclohexylethyl)-2-(pyrrolidin-1-ylmethyl)aniline
CID 43788848
2-chloro-4-fluoro-N-[1-(1-methylpiperidin-3-yl)ethyl]aniline
CID 43308733
2,6-dimethyl-3-[1-(1-methylpiperidin-3-yl)ethylamino]phenol
CID 43741661

Frequently Asked Questions

What is the IUPAC name of 2-[(dimethylamino)methyl]-N-[1-(1-methylpiperidin-3-yl)ethyl]aniline?
The IUPAC name of 2-[(dimethylamino)methyl]-N-[1-(1-methylpiperidin-3-yl)ethyl]aniline (CID 43750067) is 2-[(dimethylamino)methyl]-N-[1-(1-methylpiperidin-3-yl)ethyl]aniline.
What is the SMILES notation for 2-[(dimethylamino)methyl]-N-[1-(1-methylpiperidin-3-yl)ethyl]aniline?
The canonical SMILES for 2-[(dimethylamino)methyl]-N-[1-(1-methylpiperidin-3-yl)ethyl]aniline is CC(Nc1ccccc1CN(C)C)C1CCCN(C)C1.
What is the InChIKey of 2-[(dimethylamino)methyl]-N-[1-(1-methylpiperidin-3-yl)ethyl]aniline?
The InChIKey is CJWPUIARQHGIMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3/c1-14(15-9-7-11-20(4)13-15)18-17-10-6-5-8-16(17)12-19(2)3/h5-6,8,10,14-15,18H,7,9,11-13H2,1-4H3.
What are the key properties of 2-[(dimethylamino)methyl]-N-[1-(1-methylpiperidin-3-yl)ethyl]aniline?
2-[(dimethylamino)methyl]-N-[1-(1-methylpiperidin-3-yl)ethyl]aniline has a molecular weight of 275.44 g/mol, XLogP of 2.89, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(dimethylamino)methyl]-N-[1-(1-methylpiperidin-3-yl)ethyl]aniline is sourced from PubChem (CID 43750067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).