2-[3-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]propyl]aniline

C16H27N3 — CID 107274456

IUPAC2-[3-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]propyl]aniline
SMILESCN(C)CC1CCCN1CCCc1ccccc1N
InChIInChI=1S/C16H27N3/c1-18(2)13-15-9-6-12-19(15)11-5-8-14-7-3-4-10-16(14)17/h3-4,7,10,15H,5-6,8-9,11-13,17H2,1-2H3
InChIKeyWYXWBEXGKWJIND-UHFFFAOYSA-N
MW261.41 g/mol
LogP2.23
Rot. Bonds6

About 2-[3-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]propyl]aniline

2-[3-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]propyl]aniline (PubChem CID 107274456) has the molecular formula C16H27N3 and a molecular weight of 261.41 g/mol. Its IUPAC name is 2-[3-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]propyl]aniline.

Molecular Properties

Compound Name2-[3-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]propyl]aniline
PubChem CID107274456
Molecular FormulaC16H27N3
Molecular Weight261.41 g/mol
Exact Mass261.22
IUPAC Name2-[3-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]propyl]aniline
SMILESCN(C)CC1CCCN1CCCc1ccccc1N
InChIInChI=1S/C16H27N3/c1-18(2)13-15-9-6-12-19(15)11-5-8-14-7-3-4-10-16(14)17/h3-4,7,10,15H,5-6,8-9,11-13,17H2,1-2H3
InChIKeyWYXWBEXGKWJIND-UHFFFAOYSA-N
XLogP2.23
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-[[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methyl]aniline
CID 62885023
2-[2-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]ethyl]aniline
CID 79303181
2-[2-(1-butylpiperidin-2-yl)ethyl]aniline
CID 20560089
2-[[(1-ethylpyrrolidin-2-yl)methyl-methylamino]methyl]aniline
CID 79303405
2-[3-(2-ethylpyrrolidin-1-yl)propoxy]aniline
CID 54882910
2-[3-[(2S,6R)-2,6-dimethylpiperidin-1-yl]propyl]aniline
CID 107274621
2-[[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methyl]-3-fluoroaniline
CID 63330937
2-[2-(2-cyclopentylpyrrolidin-1-yl)ethyl]aniline
CID 62495237
2-(3-piperidin-1-ylpropyl)aniline
CID 28721004
2-[3-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)propyl]aniline
CID 107274411
2-[[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methyl]-N'-hydroxybenzenecarboximidamide
CID 76975855
3-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-1-(2-methylphenyl)propan-1-amine
CID 62888334

Frequently Asked Questions

What is the IUPAC name of 2-[3-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]propyl]aniline?
The IUPAC name of 2-[3-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]propyl]aniline (CID 107274456) is 2-[3-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]propyl]aniline.
What is the SMILES notation for 2-[3-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]propyl]aniline?
The canonical SMILES for 2-[3-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]propyl]aniline is CN(C)CC1CCCN1CCCc1ccccc1N.
What is the InChIKey of 2-[3-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]propyl]aniline?
The InChIKey is WYXWBEXGKWJIND-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3/c1-18(2)13-15-9-6-12-19(15)11-5-8-14-7-3-4-10-16(14)17/h3-4,7,10,15H,5-6,8-9,11-13,17H2,1-2H3.
What are the key properties of 2-[3-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]propyl]aniline?
2-[3-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]propyl]aniline has a molecular weight of 261.41 g/mol, XLogP of 2.23, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]propyl]aniline is sourced from PubChem (CID 107274456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).