2,6-dimethyl-N-(4-pyrrolidin-3-ylpentan-2-yl)aniline

C17H28N2 — CID 134345661

IUPAC2,6-dimethyl-N-(4-pyrrolidin-3-ylpentan-2-yl)aniline
SMILESCc1cccc(C)c1NC(C)CC(C)C1CCNC1
InChIInChI=1S/C17H28N2/c1-12-6-5-7-13(2)17(12)19-15(4)10-14(3)16-8-9-18-11-16/h5-7,14-16,18-19H,8-11H2,1-4H3
InChIKeyFLYBBOQTMXVUIE-UHFFFAOYSA-N
MW260.43 g/mol
LogP3.74
Rot. Bonds5

About 2,6-dimethyl-N-(4-pyrrolidin-3-ylpentan-2-yl)aniline

2,6-dimethyl-N-(4-pyrrolidin-3-ylpentan-2-yl)aniline (PubChem CID 134345661) has the molecular formula C17H28N2 and a molecular weight of 260.43 g/mol. Its IUPAC name is 2,6-dimethyl-N-(4-pyrrolidin-3-ylpentan-2-yl)aniline.

Molecular Properties

Compound Name2,6-dimethyl-N-(4-pyrrolidin-3-ylpentan-2-yl)aniline
PubChem CID134345661
Molecular FormulaC17H28N2
Molecular Weight260.43 g/mol
Exact Mass260.23
IUPAC Name2,6-dimethyl-N-(4-pyrrolidin-3-ylpentan-2-yl)aniline
SMILESCc1cccc(C)c1NC(C)CC(C)C1CCNC1
InChIInChI=1S/C17H28N2/c1-12-6-5-7-13(2)17(12)19-15(4)10-14(3)16-8-9-18-11-16/h5-7,14-16,18-19H,8-11H2,1-4H3
InChIKeyFLYBBOQTMXVUIE-UHFFFAOYSA-N
XLogP3.74
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.43
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2,6-dimethyl-N-(4-pyrrolidin-3-ylpentan-2-yl)aniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-methyl-2-(1-piperidin-3-ylethylamino)benzonitrile
CID 107111358
N-(2,3-dimethylphenyl)-3-piperidin-3-ylbutanamide
CID 81043565
N-(1-ditert-butylphosphanylpropan-2-yl)-2,6-dimethylaniline
CID 59080054
3-[(2-methylphenyl)-naphthalen-1-yloxymethyl]pyrrolidine
CID 66755321
3-[1-(3-chloro-2-methylphenoxy)-3-methylbutyl]pyrrolidine
CID 77163909
(3S)-3-[(R)-(2-methylphenoxy)-phenylmethyl]pyrrolidine
CID 71562371
N-benzyl-1-pyrrolidin-3-ylethanamine
CID 67740101
2-methyl-N-(piperidin-3-ylmethyl)-6-propan-2-ylaniline
CID 82086323
3-[1-(3-methoxyphenoxy)ethyl]pyrrolidine
CID 105477836
(3S)-3-(2,6-dimethylphenyl)pyrrolidine
CID 93478436
N-[2-(2,6-dimethylphenyl)ethyl]-3-piperidin-4-ylbutanamide
CID 119788057
(1S)-2-(3-methyl-2-propan-2-yloxyphenyl)-1-piperidin-4-ylethanol
CID 58870110

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-N-(4-pyrrolidin-3-ylpentan-2-yl)aniline?
The IUPAC name of 2,6-dimethyl-N-(4-pyrrolidin-3-ylpentan-2-yl)aniline (CID 134345661) is 2,6-dimethyl-N-(4-pyrrolidin-3-ylpentan-2-yl)aniline.
What is the SMILES notation for 2,6-dimethyl-N-(4-pyrrolidin-3-ylpentan-2-yl)aniline?
The canonical SMILES for 2,6-dimethyl-N-(4-pyrrolidin-3-ylpentan-2-yl)aniline is Cc1cccc(C)c1NC(C)CC(C)C1CCNC1.
What is the InChIKey of 2,6-dimethyl-N-(4-pyrrolidin-3-ylpentan-2-yl)aniline?
The InChIKey is FLYBBOQTMXVUIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2/c1-12-6-5-7-13(2)17(12)19-15(4)10-14(3)16-8-9-18-11-16/h5-7,14-16,18-19H,8-11H2,1-4H3.
What are the key properties of 2,6-dimethyl-N-(4-pyrrolidin-3-ylpentan-2-yl)aniline?
2,6-dimethyl-N-(4-pyrrolidin-3-ylpentan-2-yl)aniline has a molecular weight of 260.43 g/mol, XLogP of 3.74, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-N-(4-pyrrolidin-3-ylpentan-2-yl)aniline is sourced from PubChem (CID 134345661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).