2,3-dimethyl-N-(2-pyrrolidin-2-ylcyclohexyl)aniline

C18H28N2 — CID 79546508

IUPAC2,3-dimethyl-N-(2-pyrrolidin-2-ylcyclohexyl)aniline
SMILESCc1cccc(NC2CCCCC2C2CCCN2)c1C
InChIInChI=1S/C18H28N2/c1-13-7-5-10-16(14(13)2)20-18-9-4-3-8-15(18)17-11-6-12-19-17/h5,7,10,15,17-20H,3-4,6,8-9,11-12H2,1-2H3
InChIKeyJDEXWWJYZONOJY-UHFFFAOYSA-N
MW272.44 g/mol
LogP4.03
Rot. Bonds3

About 2,3-dimethyl-N-(2-pyrrolidin-2-ylcyclohexyl)aniline

2,3-dimethyl-N-(2-pyrrolidin-2-ylcyclohexyl)aniline (PubChem CID 79546508) has the molecular formula C18H28N2 and a molecular weight of 272.44 g/mol. Its IUPAC name is 2,3-dimethyl-N-(2-pyrrolidin-2-ylcyclohexyl)aniline.

Molecular Properties

Compound Name2,3-dimethyl-N-(2-pyrrolidin-2-ylcyclohexyl)aniline
PubChem CID79546508
Molecular FormulaC18H28N2
Molecular Weight272.44 g/mol
Exact Mass272.23
IUPAC Name2,3-dimethyl-N-(2-pyrrolidin-2-ylcyclohexyl)aniline
SMILESCc1cccc(NC2CCCCC2C2CCCN2)c1C
InChIInChI=1S/C18H28N2/c1-13-7-5-10-16(14(13)2)20-18-9-4-3-8-15(18)17-11-6-12-19-17/h5,7,10,15,17-20H,3-4,6,8-9,11-12H2,1-2H3
InChIKeyJDEXWWJYZONOJY-UHFFFAOYSA-N
XLogP4.03
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.44
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2,3-dimethyl-N-(2-piperidin-2-ylcyclopentyl)aniline
CID 79545127
2-iodo-N-(2-pyrrolidin-2-ylcyclohexyl)aniline
CID 79546515
N-(2-pyrrolidin-2-ylcyclopentyl)-5,6,7,8-tetrahydronaphthalen-1-amine
CID 79535830
2-[(2-pyrrolidin-2-ylcyclohexyl)amino]benzoic acid
CID 79539513
2-fluoro-4-methyl-N-(2-pyrrolidin-2-ylcyclohexyl)aniline
CID 79546014
2-bromo-3-chloro-N-(2-pyrrolidin-2-ylcyclopentyl)aniline
CID 103478265
N-(2-pyrrolidin-2-ylcyclohexyl)-1H-indazol-4-amine
CID 79536683
2,4,6-trimethyl-N-(2-pyrrolidin-2-ylcyclohexyl)aniline
CID 79536673
2-methoxy-4-methyl-N-(2-pyrrolidin-2-ylcyclohexyl)aniline
CID 79536682
2-propyl-N-(2-pyrrolidin-2-ylcyclopentyl)aniline
CID 79543974
2-methyl-5-[(2-pyrrolidin-2-ylcyclohexyl)amino]phenol
CID 107700278
2-fluoro-5-methyl-N-(2-piperidin-2-ylcyclohexyl)aniline
CID 79541370

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-N-(2-pyrrolidin-2-ylcyclohexyl)aniline?
The IUPAC name of 2,3-dimethyl-N-(2-pyrrolidin-2-ylcyclohexyl)aniline (CID 79546508) is 2,3-dimethyl-N-(2-pyrrolidin-2-ylcyclohexyl)aniline.
What is the SMILES notation for 2,3-dimethyl-N-(2-pyrrolidin-2-ylcyclohexyl)aniline?
The canonical SMILES for 2,3-dimethyl-N-(2-pyrrolidin-2-ylcyclohexyl)aniline is Cc1cccc(NC2CCCCC2C2CCCN2)c1C.
What is the InChIKey of 2,3-dimethyl-N-(2-pyrrolidin-2-ylcyclohexyl)aniline?
The InChIKey is JDEXWWJYZONOJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2/c1-13-7-5-10-16(14(13)2)20-18-9-4-3-8-15(18)17-11-6-12-19-17/h5,7,10,15,17-20H,3-4,6,8-9,11-12H2,1-2H3.
What are the key properties of 2,3-dimethyl-N-(2-pyrrolidin-2-ylcyclohexyl)aniline?
2,3-dimethyl-N-(2-pyrrolidin-2-ylcyclohexyl)aniline has a molecular weight of 272.44 g/mol, XLogP of 4.03, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-N-(2-pyrrolidin-2-ylcyclohexyl)aniline is sourced from PubChem (CID 79546508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).