(E)-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-3-phenylprop-2-en-1-amine

C25H41N3O — CID 45229833

IUPAC(E)-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-3-phenylprop-2-en-1-amine
SMILESCCN1CCCC1CN(C/C=C/c1ccccc1)CC1CCN(CCOC)CC1
InChIInChI=1S/C25H41N3O/c1-3-28-16-8-12-25(28)22-27(15-7-11-23-9-5-4-6-10-23)21-24-13-17-26(18-14-24)19-20-29-2/h4-7,9-11,24-25H,3,8,12-22H2,1-2H3/b11-7+
InChIKeyMXYIWOGWKVHMHF-YRNVUSSQSA-N
MW399.62 g/mol
LogP3.84
Rot. Bonds11

About (E)-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-3-phenylprop-2-en-1-amine

(E)-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-3-phenylprop-2-en-1-amine (PubChem CID 45229833) has the molecular formula C25H41N3O and a molecular weight of 399.62 g/mol. Its IUPAC name is (E)-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-3-phenylprop-2-en-1-amine.

Molecular Properties

Compound Name(E)-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-3-phenylprop-2-en-1-amine
PubChem CID45229833
Molecular FormulaC25H41N3O
Molecular Weight399.62 g/mol
Exact Mass399.32
IUPAC Name(E)-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-3-phenylprop-2-en-1-amine
SMILESCCN1CCCC1CN(C/C=C/c1ccccc1)CC1CCN(CCOC)CC1
InChIInChI=1S/C25H41N3O/c1-3-28-16-8-12-25(28)22-27(15-7-11-23-9-5-4-6-10-23)21-24-13-17-26(18-14-24)19-20-29-2/h4-7,9-11,24-25H,3,8,12-22H2,1-2H3/b11-7+
InChIKeyMXYIWOGWKVHMHF-YRNVUSSQSA-N
XLogP3.84
TPSA18.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.62
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-[[[(2S)-1-ethylpyrrolidin-2-yl]methyl-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]amino]methyl]pyrimidin-2-amine
CID 29153862
N-[(1-ethylpyrrolidin-2-yl)methyl]-N-(1H-imidazol-5-ylmethyl)-1-[1-(2-methoxyethyl)piperidin-4-yl]methanamine
CID 45212641
N-[(1-ethylpyrrolidin-2-yl)methyl]-4,4,4-trifluoro-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]butanamide
CID 45168001
N-[(1-ethylpyrrolidin-2-yl)methyl]-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-2-pyridin-4-ylsulfanylacetamide
CID 45225771
N-[(1-ethylpyrrolidin-2-yl)methyl]-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-3,5-dimethylfuran-2-carboxamide
CID 45175059
N-[(1-ethylpyrrolidin-2-yl)methyl]-3-[1-[(E)-3-phenylprop-2-enyl]piperidin-4-yl]propanamide
CID 45219288
N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 42513986
N-[(1-ethylpyrrolidin-2-yl)methyl]-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 45226089
2-[cyclopropylmethyl-[(E)-3-phenylprop-2-enyl]amino]acetic acid
CID 43656590
N-benzyl-1-[(2R)-1-ethylpyrrolidin-2-yl]-N-(pyridin-4-ylmethyl)methanamine
CID 51631520
ethane;4-ethyl-1-(2-methoxyethyl)piperidine
CID 177021605
N-[benzyl(methyl)sulfamoyl]-1-[1-(2-methoxyethyl)piperidin-4-yl]-N-methylmethanamine
CID 131941133

Frequently Asked Questions

What is the IUPAC name of (E)-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-3-phenylprop-2-en-1-amine?
The IUPAC name of (E)-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-3-phenylprop-2-en-1-amine (CID 45229833) is (E)-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-3-phenylprop-2-en-1-amine.
What is the SMILES notation for (E)-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-3-phenylprop-2-en-1-amine?
The canonical SMILES for (E)-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-3-phenylprop-2-en-1-amine is CCN1CCCC1CN(C/C=C/c1ccccc1)CC1CCN(CCOC)CC1.
What is the InChIKey of (E)-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-3-phenylprop-2-en-1-amine?
The InChIKey is MXYIWOGWKVHMHF-YRNVUSSQSA-N. The full InChI is InChI=1S/C25H41N3O/c1-3-28-16-8-12-25(28)22-27(15-7-11-23-9-5-4-6-10-23)21-24-13-17-26(18-14-24)19-20-29-2/h4-7,9-11,24-25H,3,8,12-22H2,1-2H3/b11-7+.
What are the key properties of (E)-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-3-phenylprop-2-en-1-amine?
(E)-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-3-phenylprop-2-en-1-amine has a molecular weight of 399.62 g/mol, XLogP of 3.84, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-3-phenylprop-2-en-1-amine is sourced from PubChem (CID 45229833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).