1-(1-ethylpyrrolidin-2-yl)-N-methylmethanamine;2-methylbenzaldehyde

C16H26N2O — CID 143796965

IUPAC1-(1-ethylpyrrolidin-2-yl)-N-methylmethanamine;2-methylbenzaldehyde
SMILESCCN1CCCC1CNC.Cc1ccccc1C=O
InChIInChI=1S/C8H18N2.C8H8O/c1-3-10-6-4-5-8(10)7-9-2;1-7-4-2-3-5-8(7)6-9/h8-9H,3-7H2,1-2H3;2-6H,1H3
InChIKeyQCBLBFDUNIHURW-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.50
Rot. Bonds4

About 1-(1-ethylpyrrolidin-2-yl)-N-methylmethanamine;2-methylbenzaldehyde

1-(1-ethylpyrrolidin-2-yl)-N-methylmethanamine;2-methylbenzaldehyde (PubChem CID 143796965) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 1-(1-ethylpyrrolidin-2-yl)-N-methylmethanamine;2-methylbenzaldehyde.

Molecular Properties

Compound Name1-(1-ethylpyrrolidin-2-yl)-N-methylmethanamine;2-methylbenzaldehyde
PubChem CID143796965
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name1-(1-ethylpyrrolidin-2-yl)-N-methylmethanamine;2-methylbenzaldehyde
SMILESCCN1CCCC1CNC.Cc1ccccc1C=O
InChIInChI=1S/C8H18N2.C8H8O/c1-3-10-6-4-5-8(10)7-9-2;1-7-4-2-3-5-8(7)6-9/h8-9H,3-7H2,1-2H3;2-6H,1H3
InChIKeyQCBLBFDUNIHURW-UHFFFAOYSA-N
XLogP2.50
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.50
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-[(2S)-1-ethylpyrrolidin-2-yl]-N-[(2-methylphenyl)methyl]methanamine
CID 51627850
1-[1-[(2-ethylphenyl)methyl]pyrrolidin-2-yl]-N-methylmethanamine
CID 113285206
2-[(1-ethylpyrrolidin-2-yl)methylamino]-N-(2-methylphenyl)acetamide
CID 43180059
N-benzyl-1-(1-ethylpyrrolidin-2-yl)methanamine;oxalic acid
CID 17053062
1-[1-[(2,3-dimethylphenyl)methyl]pyrrolidin-2-yl]-N-methylmethanamine
CID 113285201
N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-N'-(2-methylphenyl)oxamide
CID 7242428
1-[(2R)-1-ethylpyrrolidin-2-yl]-N-[(4-methylphenyl)methyl]methanamine
CID 51627856
2-[2-[[2-(methylaminomethyl)pyrrolidin-1-yl]methyl]phenyl]acetic acid
CID 115463132
N'-(2,6-dimethylphenyl)-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]oxamide
CID 2205501
1-(2-benzylphenyl)-3-[(1-ethylpyrrolidin-2-yl)methyl]urea
CID 71876765
N-methyl-1-[1-(2-phenylprop-2-enyl)pyrrolidin-2-yl]methanamine
CID 115328538
2-[(1-ethylpyrrolidin-2-yl)methylamino]-N-methylacetamide
CID 43180041

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethylpyrrolidin-2-yl)-N-methylmethanamine;2-methylbenzaldehyde?
The IUPAC name of 1-(1-ethylpyrrolidin-2-yl)-N-methylmethanamine;2-methylbenzaldehyde (CID 143796965) is 1-(1-ethylpyrrolidin-2-yl)-N-methylmethanamine;2-methylbenzaldehyde.
What is the SMILES notation for 1-(1-ethylpyrrolidin-2-yl)-N-methylmethanamine;2-methylbenzaldehyde?
The canonical SMILES for 1-(1-ethylpyrrolidin-2-yl)-N-methylmethanamine;2-methylbenzaldehyde is CCN1CCCC1CNC.Cc1ccccc1C=O.
What is the InChIKey of 1-(1-ethylpyrrolidin-2-yl)-N-methylmethanamine;2-methylbenzaldehyde?
The InChIKey is QCBLBFDUNIHURW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2.C8H8O/c1-3-10-6-4-5-8(10)7-9-2;1-7-4-2-3-5-8(7)6-9/h8-9H,3-7H2,1-2H3;2-6H,1H3.
What are the key properties of 1-(1-ethylpyrrolidin-2-yl)-N-methylmethanamine;2-methylbenzaldehyde?
1-(1-ethylpyrrolidin-2-yl)-N-methylmethanamine;2-methylbenzaldehyde has a molecular weight of 262.40 g/mol, XLogP of 2.50, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethylpyrrolidin-2-yl)-N-methylmethanamine;2-methylbenzaldehyde is sourced from PubChem (CID 143796965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).