4-[(2,2-dimethylpyrrolidin-1-yl)methyl]aniline

C13H20N2 — CID 63215847

IUPAC4-[(2,2-dimethylpyrrolidin-1-yl)methyl]aniline
SMILESCC1(C)CCCN1Cc1ccc(N)cc1
InChIInChI=1S/C13H20N2/c1-13(2)8-3-9-15(13)10-11-4-6-12(14)7-5-11/h4-7H,3,8-10,14H2,1-2H3
InChIKeyGMCBLEIYHPSYTK-UHFFFAOYSA-N
MW204.32 g/mol
LogP2.64
Rot. Bonds2

About 4-[(2,2-dimethylpyrrolidin-1-yl)methyl]aniline

4-[(2,2-dimethylpyrrolidin-1-yl)methyl]aniline (PubChem CID 63215847) has the molecular formula C13H20N2 and a molecular weight of 204.32 g/mol. Its IUPAC name is 4-[(2,2-dimethylpyrrolidin-1-yl)methyl]aniline.

Molecular Properties

Compound Name4-[(2,2-dimethylpyrrolidin-1-yl)methyl]aniline
PubChem CID63215847
Molecular FormulaC13H20N2
Molecular Weight204.32 g/mol
Exact Mass204.16
IUPAC Name4-[(2,2-dimethylpyrrolidin-1-yl)methyl]aniline
SMILESCC1(C)CCCN1Cc1ccc(N)cc1
InChIInChI=1S/C13H20N2/c1-13(2)8-3-9-15(13)10-11-4-6-12(14)7-5-11/h4-7H,3,8-10,14H2,1-2H3
InChIKeyGMCBLEIYHPSYTK-UHFFFAOYSA-N
XLogP2.64
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.32
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-benzyl-2,2-dimethylpyrrolidine
CID 10954329
4-[3-(2,2-dimethylpyrrolidin-1-yl)propyl]aniline
CID 115342109
4-[(2,2-dimethylpyrrolidin-1-yl)methyl]benzenecarbothioamide
CID 63219949
4-[(2,2-dimethylpyrrolidin-1-yl)methyl]benzoic acid
CID 55220247
4-chloro-3-[(2,2-dimethylpyrrolidin-1-yl)methyl]aniline
CID 63215901
4-[(2,2-dimethylpyrrolidin-1-yl)methyl]-N'-hydroxybenzenecarboximidamide
CID 55163486
6-[(2,2-dimethylpyrrolidin-1-yl)methyl]-1,3-benzothiazol-2-amine
CID 65348952
4-[(3-methoxy-3-methylpiperidin-1-yl)methyl]aniline
CID 107390674
1-(1,3-benzodioxol-5-ylmethyl)-2,2-dimethylpiperidine
CID 46889878
3-[(2,2-dimethylpyrrolidin-1-yl)methyl]benzoic acid
CID 63219968
3-[(2,2-dimethylpyrrolidin-1-yl)methyl]benzohydrazide
CID 55214615
4-(azacyclododec-1-ylmethyl)aniline
CID 70405299

Frequently Asked Questions

What is the IUPAC name of 4-[(2,2-dimethylpyrrolidin-1-yl)methyl]aniline?
The IUPAC name of 4-[(2,2-dimethylpyrrolidin-1-yl)methyl]aniline (CID 63215847) is 4-[(2,2-dimethylpyrrolidin-1-yl)methyl]aniline.
What is the SMILES notation for 4-[(2,2-dimethylpyrrolidin-1-yl)methyl]aniline?
The canonical SMILES for 4-[(2,2-dimethylpyrrolidin-1-yl)methyl]aniline is CC1(C)CCCN1Cc1ccc(N)cc1.
What is the InChIKey of 4-[(2,2-dimethylpyrrolidin-1-yl)methyl]aniline?
The InChIKey is GMCBLEIYHPSYTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2/c1-13(2)8-3-9-15(13)10-11-4-6-12(14)7-5-11/h4-7H,3,8-10,14H2,1-2H3.
What are the key properties of 4-[(2,2-dimethylpyrrolidin-1-yl)methyl]aniline?
4-[(2,2-dimethylpyrrolidin-1-yl)methyl]aniline has a molecular weight of 204.32 g/mol, XLogP of 2.64, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,2-dimethylpyrrolidin-1-yl)methyl]aniline is sourced from PubChem (CID 63215847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).