3-(aminomethyl)-1-benzyl-N-(2-methoxyethyl)-N-methylpyrrolidin-3-amine

C16H27N3O — CID 61427796

IUPAC3-(aminomethyl)-1-benzyl-N-(2-methoxyethyl)-N-methylpyrrolidin-3-amine
SMILESCOCCN(C)C1(CN)CCN(Cc2ccccc2)C1
InChIInChI=1S/C16H27N3O/c1-18(10-11-20-2)16(13-17)8-9-19(14-16)12-15-6-4-3-5-7-15/h3-7H,8-14,17H2,1-2H3
InChIKeyFVVLGJUCWLQDCZ-UHFFFAOYSA-N
MW277.41 g/mol
LogP1.17
Rot. Bonds7

About 3-(aminomethyl)-1-benzyl-N-(2-methoxyethyl)-N-methylpyrrolidin-3-amine

3-(aminomethyl)-1-benzyl-N-(2-methoxyethyl)-N-methylpyrrolidin-3-amine (PubChem CID 61427796) has the molecular formula C16H27N3O and a molecular weight of 277.41 g/mol. Its IUPAC name is 3-(aminomethyl)-1-benzyl-N-(2-methoxyethyl)-N-methylpyrrolidin-3-amine.

Molecular Properties

Compound Name3-(aminomethyl)-1-benzyl-N-(2-methoxyethyl)-N-methylpyrrolidin-3-amine
PubChem CID61427796
Molecular FormulaC16H27N3O
Molecular Weight277.41 g/mol
Exact Mass277.22
IUPAC Name3-(aminomethyl)-1-benzyl-N-(2-methoxyethyl)-N-methylpyrrolidin-3-amine
SMILESCOCCN(C)C1(CN)CCN(Cc2ccccc2)C1
InChIInChI=1S/C16H27N3O/c1-18(10-11-20-2)16(13-17)8-9-19(14-16)12-15-6-4-3-5-7-15/h3-7H,8-14,17H2,1-2H3
InChIKeyFVVLGJUCWLQDCZ-UHFFFAOYSA-N
XLogP1.17
TPSA41.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(aminomethyl)-1-benzyl-N-(2-ethoxyethyl)-N-methylpyrrolidin-3-amine
CID 81035394
3-(aminomethyl)-1-benzyl-N-methyl-N-pentylpyrrolidin-3-amine
CID 43294664
3-(aminomethyl)-1-benzyl-N-methyl-N-propylpiperidin-3-amine
CID 43271053
3-(aminomethyl)-1-benzyl-N-butan-2-yl-N-methylpyrrolidin-3-amine
CID 43272771
3-(aminomethyl)-1-benzyl-N-(cyclopropylmethyl)-N-methylpiperidin-3-amine
CID 60985649
3-(aminomethyl)-1-benzyl-N-butan-2-yl-N-methylpiperidin-3-amine
CID 43272761
1-benzyl-4-(2-methoxyethyl)piperidin-4-amine
CID 83912968
3-(2-aminoethyl)-1-benzyl-N,N-dimethylpiperidin-3-amine
CID 83693634
N'-[4-(aminomethyl)-1-benzylpiperidin-4-yl]-N,N-dimethyl-N'-propylethane-1,2-diamine
CID 113227822
3-(aminomethyl)-N-benzyl-N,1-dimethylpyrrolidin-3-amine
CID 62975093
methyl 3-(aminomethyl)-1-benzylpyrrolidine-3-carboxylate
CID 67228894
[(3S)-1-benzyl-3-(dibenzylamino)pyrrolidin-3-yl]methanol
CID 54376302

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-1-benzyl-N-(2-methoxyethyl)-N-methylpyrrolidin-3-amine?
The IUPAC name of 3-(aminomethyl)-1-benzyl-N-(2-methoxyethyl)-N-methylpyrrolidin-3-amine (CID 61427796) is 3-(aminomethyl)-1-benzyl-N-(2-methoxyethyl)-N-methylpyrrolidin-3-amine.
What is the SMILES notation for 3-(aminomethyl)-1-benzyl-N-(2-methoxyethyl)-N-methylpyrrolidin-3-amine?
The canonical SMILES for 3-(aminomethyl)-1-benzyl-N-(2-methoxyethyl)-N-methylpyrrolidin-3-amine is COCCN(C)C1(CN)CCN(Cc2ccccc2)C1.
What is the InChIKey of 3-(aminomethyl)-1-benzyl-N-(2-methoxyethyl)-N-methylpyrrolidin-3-amine?
The InChIKey is FVVLGJUCWLQDCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O/c1-18(10-11-20-2)16(13-17)8-9-19(14-16)12-15-6-4-3-5-7-15/h3-7H,8-14,17H2,1-2H3.
What are the key properties of 3-(aminomethyl)-1-benzyl-N-(2-methoxyethyl)-N-methylpyrrolidin-3-amine?
3-(aminomethyl)-1-benzyl-N-(2-methoxyethyl)-N-methylpyrrolidin-3-amine has a molecular weight of 277.41 g/mol, XLogP of 1.17, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-1-benzyl-N-(2-methoxyethyl)-N-methylpyrrolidin-3-amine is sourced from PubChem (CID 61427796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).