1-benzyl-N-methylpyrrolidin-3-amine;2,4,5-trimethylbenzaldehyde

C22H30N2O — CID 143672917

IUPAC1-benzyl-N-methylpyrrolidin-3-amine;2,4,5-trimethylbenzaldehyde
SMILESCNC1CCN(Cc2ccccc2)C1.Cc1cc(C)c(C=O)cc1C
InChIInChI=1S/C12H18N2.C10H12O/c1-13-12-7-8-14(10-12)9-11-5-3-2-4-6-11;1-7-4-9(3)10(6-11)5-8(7)2/h2-6,12-13H,7-10H2,1H3;4-6H,1-3H3
InChIKeyQDVZXCOXGARHLS-UHFFFAOYSA-N
MW338.50 g/mol
LogP3.90
Rot. Bonds4

About 1-benzyl-N-methylpyrrolidin-3-amine;2,4,5-trimethylbenzaldehyde

1-benzyl-N-methylpyrrolidin-3-amine;2,4,5-trimethylbenzaldehyde (PubChem CID 143672917) has the molecular formula C22H30N2O and a molecular weight of 338.50 g/mol. Its IUPAC name is 1-benzyl-N-methylpyrrolidin-3-amine;2,4,5-trimethylbenzaldehyde.

Molecular Properties

Compound Name1-benzyl-N-methylpyrrolidin-3-amine;2,4,5-trimethylbenzaldehyde
PubChem CID143672917
Molecular FormulaC22H30N2O
Molecular Weight338.50 g/mol
Exact Mass338.24
IUPAC Name1-benzyl-N-methylpyrrolidin-3-amine;2,4,5-trimethylbenzaldehyde
SMILESCNC1CCN(Cc2ccccc2)C1.Cc1cc(C)c(C=O)cc1C
InChIInChI=1S/C12H18N2.C10H12O/c1-13-12-7-8-14(10-12)9-11-5-3-2-4-6-11;1-7-4-9(3)10(6-11)5-8(7)2/h2-6,12-13H,7-10H2,1H3;4-6H,1-3H3
InChIKeyQDVZXCOXGARHLS-UHFFFAOYSA-N
XLogP3.90
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.50
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-benzyl-N-methylpiperidin-4-amine
CID 4136128
(3R)-1-benzyl-N-methylpiperidin-3-amine;sulfane
CID 162106706
N-methyl-1-[[3-(2-methylphenyl)phenyl]methyl]pyrrolidin-3-amine
CID 166218883
1-benzyl-N-(3,5-dimethylphenyl)pyrrolidin-3-amine
CID 43150672
1-[(4-aminophenyl)methyl]-N-methylpyrrolidin-3-amine
CID 126490088
N-methyl-1-[(3-phenylmethoxyphenyl)methyl]pyrrolidin-3-amine
CID 119905641
N-(1-benzylpyrrolidin-3-yl)-2,4-dimethylbenzamide
CID 18156319
1-benzyl-N-(1-bicyclo[1.1.1]pentanyl)pyrrolidin-3-amine
CID 167503574
N-(1-benzylpyrrolidin-3-yl)-1-ethylpiperidin-4-amine
CID 43223634
1-[(3-methoxyphenyl)methyl]-N-methylpyrrolidin-3-amine
CID 61029194
[2-[(1-benzylpyrrolidin-3-yl)amino]cyclopentyl]methanol
CID 103709861
1-benzyl-N-[(2-methylcyclopentyl)methyl]pyrrolidin-3-amine
CID 107417487

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-methylpyrrolidin-3-amine;2,4,5-trimethylbenzaldehyde?
The IUPAC name of 1-benzyl-N-methylpyrrolidin-3-amine;2,4,5-trimethylbenzaldehyde (CID 143672917) is 1-benzyl-N-methylpyrrolidin-3-amine;2,4,5-trimethylbenzaldehyde.
What is the SMILES notation for 1-benzyl-N-methylpyrrolidin-3-amine;2,4,5-trimethylbenzaldehyde?
The canonical SMILES for 1-benzyl-N-methylpyrrolidin-3-amine;2,4,5-trimethylbenzaldehyde is CNC1CCN(Cc2ccccc2)C1.Cc1cc(C)c(C=O)cc1C.
What is the InChIKey of 1-benzyl-N-methylpyrrolidin-3-amine;2,4,5-trimethylbenzaldehyde?
The InChIKey is QDVZXCOXGARHLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2.C10H12O/c1-13-12-7-8-14(10-12)9-11-5-3-2-4-6-11;1-7-4-9(3)10(6-11)5-8(7)2/h2-6,12-13H,7-10H2,1H3;4-6H,1-3H3.
What are the key properties of 1-benzyl-N-methylpyrrolidin-3-amine;2,4,5-trimethylbenzaldehyde?
1-benzyl-N-methylpyrrolidin-3-amine;2,4,5-trimethylbenzaldehyde has a molecular weight of 338.50 g/mol, XLogP of 3.90, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-methylpyrrolidin-3-amine;2,4,5-trimethylbenzaldehyde is sourced from PubChem (CID 143672917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).