3-[4-(aminomethyl)-1-methylpyrrolidin-2-yl]-N,N-dimethylaniline

C14H23N3 — CID 117339423

IUPAC3-[4-(aminomethyl)-1-methylpyrrolidin-2-yl]-N,N-dimethylaniline
SMILESCN(C)c1cccc(C2CC(CN)CN2C)c1
InChIInChI=1S/C14H23N3/c1-16(2)13-6-4-5-12(8-13)14-7-11(9-15)10-17(14)3/h4-6,8,11,14H,7,9-10,15H2,1-3H3
InChIKeyZKUOZXSOYNMPAC-UHFFFAOYSA-N
MW233.36 g/mol
LogP1.70
Rot. Bonds3

About 3-[4-(aminomethyl)-1-methylpyrrolidin-2-yl]-N,N-dimethylaniline

3-[4-(aminomethyl)-1-methylpyrrolidin-2-yl]-N,N-dimethylaniline (PubChem CID 117339423) has the molecular formula C14H23N3 and a molecular weight of 233.36 g/mol. Its IUPAC name is 3-[4-(aminomethyl)-1-methylpyrrolidin-2-yl]-N,N-dimethylaniline.

Molecular Properties

Compound Name3-[4-(aminomethyl)-1-methylpyrrolidin-2-yl]-N,N-dimethylaniline
PubChem CID117339423
Molecular FormulaC14H23N3
Molecular Weight233.36 g/mol
Exact Mass233.19
IUPAC Name3-[4-(aminomethyl)-1-methylpyrrolidin-2-yl]-N,N-dimethylaniline
SMILESCN(C)c1cccc(C2CC(CN)CN2C)c1
InChIInChI=1S/C14H23N3/c1-16(2)13-6-4-5-12(8-13)14-7-11(9-15)10-17(14)3/h4-6,8,11,14H,7,9-10,15H2,1-3H3
InChIKeyZKUOZXSOYNMPAC-UHFFFAOYSA-N
XLogP1.70
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(aminomethyl)-1-methylpyrrolidin-2-yl]-N,N-dimethylaniline?
The IUPAC name of 3-[4-(aminomethyl)-1-methylpyrrolidin-2-yl]-N,N-dimethylaniline (CID 117339423) is 3-[4-(aminomethyl)-1-methylpyrrolidin-2-yl]-N,N-dimethylaniline.
What is the SMILES notation for 3-[4-(aminomethyl)-1-methylpyrrolidin-2-yl]-N,N-dimethylaniline?
The canonical SMILES for 3-[4-(aminomethyl)-1-methylpyrrolidin-2-yl]-N,N-dimethylaniline is CN(C)c1cccc(C2CC(CN)CN2C)c1.
What is the InChIKey of 3-[4-(aminomethyl)-1-methylpyrrolidin-2-yl]-N,N-dimethylaniline?
The InChIKey is ZKUOZXSOYNMPAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3/c1-16(2)13-6-4-5-12(8-13)14-7-11(9-15)10-17(14)3/h4-6,8,11,14H,7,9-10,15H2,1-3H3.
What are the key properties of 3-[4-(aminomethyl)-1-methylpyrrolidin-2-yl]-N,N-dimethylaniline?
3-[4-(aminomethyl)-1-methylpyrrolidin-2-yl]-N,N-dimethylaniline has a molecular weight of 233.36 g/mol, XLogP of 1.70, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(aminomethyl)-1-methylpyrrolidin-2-yl]-N,N-dimethylaniline is sourced from PubChem (CID 117339423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).