3-[2-cyclopropyl-1-(methylamino)ethyl]-N,N-dimethylaniline

C14H22N2 — CID 105152827

IUPAC3-[2-cyclopropyl-1-(methylamino)ethyl]-N,N-dimethylaniline
SMILESCNC(CC1CC1)c1cccc(N(C)C)c1
InChIInChI=1S/C14H22N2/c1-15-14(9-11-7-8-11)12-5-4-6-13(10-12)16(2)3/h4-6,10-11,14-15H,7-9H2,1-3H3
InChIKeyFLKPLRCRCUALQD-UHFFFAOYSA-N
MW218.34 g/mol
LogP2.81
Rot. Bonds5

About 3-[2-cyclopropyl-1-(methylamino)ethyl]-N,N-dimethylaniline

3-[2-cyclopropyl-1-(methylamino)ethyl]-N,N-dimethylaniline (PubChem CID 105152827) has the molecular formula C14H22N2 and a molecular weight of 218.34 g/mol. Its IUPAC name is 3-[2-cyclopropyl-1-(methylamino)ethyl]-N,N-dimethylaniline.

Molecular Properties

Compound Name3-[2-cyclopropyl-1-(methylamino)ethyl]-N,N-dimethylaniline
PubChem CID105152827
Molecular FormulaC14H22N2
Molecular Weight218.34 g/mol
Exact Mass218.18
IUPAC Name3-[2-cyclopropyl-1-(methylamino)ethyl]-N,N-dimethylaniline
SMILESCNC(CC1CC1)c1cccc(N(C)C)c1
InChIInChI=1S/C14H22N2/c1-15-14(9-11-7-8-11)12-5-4-6-13(10-12)16(2)3/h4-6,10-11,14-15H,7-9H2,1-3H3
InChIKeyFLKPLRCRCUALQD-UHFFFAOYSA-N
XLogP2.81
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[2-cyclopropyl-1-(ethylamino)ethyl]-N,N-dimethylaniline
CID 105152936
2-cycloheptyl-N-methyl-1-(3-methylphenyl)ethanamine
CID 115789919
N,N-dimethyl-3-[1-(methylamino)hexyl]aniline
CID 105129661
2-cycloheptyl-1-(3-ethylphenyl)-N-methylethanamine
CID 105018546
2-cyclobutyl-N-methyl-1-(3-propan-2-yloxyphenyl)ethanamine
CID 115863611
N,N-dimethyl-3-[(1S)-1-(methylamino)ethyl]aniline
CID 130697779
1-(3-chloro-4-iodophenyl)-2-cyclopropyl-N-methylethanamine
CID 103215428
3-[2-(furan-2-yl)-1-(methylamino)ethyl]-N,N-dimethylaniline
CID 105177359
3-[1-(ethylamino)butyl]-N,N-dimethylaniline
CID 105080535
N,N-dimethyl-3-[1-(methylamino)-2-pyridin-3-ylethyl]aniline
CID 105179949
3-[2-(2,5-dimethylphenyl)-1-(methylamino)ethyl]-N,N-dimethylaniline
CID 105101002
[3-(dimethylamino)phenyl]-(methylamino)methanol
CID 59725197

Frequently Asked Questions

What is the IUPAC name of 3-[2-cyclopropyl-1-(methylamino)ethyl]-N,N-dimethylaniline?
The IUPAC name of 3-[2-cyclopropyl-1-(methylamino)ethyl]-N,N-dimethylaniline (CID 105152827) is 3-[2-cyclopropyl-1-(methylamino)ethyl]-N,N-dimethylaniline.
What is the SMILES notation for 3-[2-cyclopropyl-1-(methylamino)ethyl]-N,N-dimethylaniline?
The canonical SMILES for 3-[2-cyclopropyl-1-(methylamino)ethyl]-N,N-dimethylaniline is CNC(CC1CC1)c1cccc(N(C)C)c1.
What is the InChIKey of 3-[2-cyclopropyl-1-(methylamino)ethyl]-N,N-dimethylaniline?
The InChIKey is FLKPLRCRCUALQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2/c1-15-14(9-11-7-8-11)12-5-4-6-13(10-12)16(2)3/h4-6,10-11,14-15H,7-9H2,1-3H3.
What are the key properties of 3-[2-cyclopropyl-1-(methylamino)ethyl]-N,N-dimethylaniline?
3-[2-cyclopropyl-1-(methylamino)ethyl]-N,N-dimethylaniline has a molecular weight of 218.34 g/mol, XLogP of 2.81, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-cyclopropyl-1-(methylamino)ethyl]-N,N-dimethylaniline is sourced from PubChem (CID 105152827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).