3-(2,2-dimethylpropyl)-N-[2-(3-methylpyrrolidin-1-yl)ethyl]aniline

C18H30N2 — CID 142217258

IUPAC3-(2,2-dimethylpropyl)-N-[2-(3-methylpyrrolidin-1-yl)ethyl]aniline
SMILESCC1CCN(CCNc2cccc(CC(C)(C)C)c2)C1
InChIInChI=1S/C18H30N2/c1-15-8-10-20(14-15)11-9-19-17-7-5-6-16(12-17)13-18(2,3)4/h5-7,12,15,19H,8-11,13-14H2,1-4H3
InChIKeyKSLNENATBLHLBE-UHFFFAOYSA-N
MW274.45 g/mol
LogP4.03
Rot. Bonds5

About 3-(2,2-dimethylpropyl)-N-[2-(3-methylpyrrolidin-1-yl)ethyl]aniline

3-(2,2-dimethylpropyl)-N-[2-(3-methylpyrrolidin-1-yl)ethyl]aniline (PubChem CID 142217258) has the molecular formula C18H30N2 and a molecular weight of 274.45 g/mol. Its IUPAC name is 3-(2,2-dimethylpropyl)-N-[2-(3-methylpyrrolidin-1-yl)ethyl]aniline.

Molecular Properties

Compound Name3-(2,2-dimethylpropyl)-N-[2-(3-methylpyrrolidin-1-yl)ethyl]aniline
PubChem CID142217258
Molecular FormulaC18H30N2
Molecular Weight274.45 g/mol
Exact Mass274.24
IUPAC Name3-(2,2-dimethylpropyl)-N-[2-(3-methylpyrrolidin-1-yl)ethyl]aniline
SMILESCC1CCN(CCNc2cccc(CC(C)(C)C)c2)C1
InChIInChI=1S/C18H30N2/c1-15-8-10-20(14-15)11-9-19-17-7-5-6-16(12-17)13-18(2,3)4/h5-7,12,15,19H,8-11,13-14H2,1-4H3
InChIKeyKSLNENATBLHLBE-UHFFFAOYSA-N
XLogP4.03
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.45
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-fluoro-N-[2-(4-methylazepan-1-yl)ethyl]aniline
CID 55249992
N-[2-(2,4-dimethylpiperidin-1-yl)ethyl]-3-fluoroaniline
CID 55090353
N-methyl-3-[2-(4-methylpiperidin-1-yl)ethyl]aniline
CID 71219351
N-[2-(4-tert-butylpiperidin-1-yl)ethyl]-3-chloroaniline
CID 63501829
3-bromo-N-[2-(4-tert-butylpiperidin-1-yl)ethyl]aniline
CID 63502175
N-[(3-methylpyrrolidin-1-yl)methyl]aniline
CID 68571056
[3-[(3-methylpyrrolidin-1-yl)methyl]phenyl]methanamine
CID 61224005
N-[2-(4-ethylpiperidin-1-yl)ethyl]-3-fluoroaniline
CID 62556361
(3R)-1-benzyl-3-methylpyrrolidine;propane
CID 159003320
3-tert-butyl-N-(2-morpholin-4-ylethyl)aniline
CID 20619663
3-[2-(3-methylpyrrolidin-1-yl)ethyl]benzonitrile
CID 76775692
N-[2-(2-ethylmorpholin-4-yl)ethyl]-3-fluoroaniline
CID 62560597

Frequently Asked Questions

What is the IUPAC name of 3-(2,2-dimethylpropyl)-N-[2-(3-methylpyrrolidin-1-yl)ethyl]aniline?
The IUPAC name of 3-(2,2-dimethylpropyl)-N-[2-(3-methylpyrrolidin-1-yl)ethyl]aniline (CID 142217258) is 3-(2,2-dimethylpropyl)-N-[2-(3-methylpyrrolidin-1-yl)ethyl]aniline.
What is the SMILES notation for 3-(2,2-dimethylpropyl)-N-[2-(3-methylpyrrolidin-1-yl)ethyl]aniline?
The canonical SMILES for 3-(2,2-dimethylpropyl)-N-[2-(3-methylpyrrolidin-1-yl)ethyl]aniline is CC1CCN(CCNc2cccc(CC(C)(C)C)c2)C1.
What is the InChIKey of 3-(2,2-dimethylpropyl)-N-[2-(3-methylpyrrolidin-1-yl)ethyl]aniline?
The InChIKey is KSLNENATBLHLBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2/c1-15-8-10-20(14-15)11-9-19-17-7-5-6-16(12-17)13-18(2,3)4/h5-7,12,15,19H,8-11,13-14H2,1-4H3.
What are the key properties of 3-(2,2-dimethylpropyl)-N-[2-(3-methylpyrrolidin-1-yl)ethyl]aniline?
3-(2,2-dimethylpropyl)-N-[2-(3-methylpyrrolidin-1-yl)ethyl]aniline has a molecular weight of 274.45 g/mol, XLogP of 4.03, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-dimethylpropyl)-N-[2-(3-methylpyrrolidin-1-yl)ethyl]aniline is sourced from PubChem (CID 142217258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).