3-(4-ethylpiperazin-1-yl)-2-methyl-N-[(E)-2-methyl-3-phenylprop-2-enyl]propan-1-amine

C20H33N3 — CID 119122323

IUPAC3-(4-ethylpiperazin-1-yl)-2-methyl-N-[(E)-2-methyl-3-phenylprop-2-enyl]propan-1-amine
SMILESCCN1CCN(CC(C)CNC/C(C)=C/c2ccccc2)CC1
InChIInChI=1S/C20H33N3/c1-4-22-10-12-23(13-11-22)17-19(3)16-21-15-18(2)14-20-8-6-5-7-9-20/h5-9,14,19,21H,4,10-13,15-17H2,1-3H3/b18-14+
InChIKeyBPTPIFRRTNWHPB-NBVRZTHBSA-N
MW315.50 g/mol
LogP2.95
Rot. Bonds8

About 3-(4-ethylpiperazin-1-yl)-2-methyl-N-[(E)-2-methyl-3-phenylprop-2-enyl]propan-1-amine

3-(4-ethylpiperazin-1-yl)-2-methyl-N-[(E)-2-methyl-3-phenylprop-2-enyl]propan-1-amine (PubChem CID 119122323) has the molecular formula C20H33N3 and a molecular weight of 315.50 g/mol. Its IUPAC name is 3-(4-ethylpiperazin-1-yl)-2-methyl-N-[(E)-2-methyl-3-phenylprop-2-enyl]propan-1-amine.

Molecular Properties

Compound Name3-(4-ethylpiperazin-1-yl)-2-methyl-N-[(E)-2-methyl-3-phenylprop-2-enyl]propan-1-amine
PubChem CID119122323
Molecular FormulaC20H33N3
Molecular Weight315.50 g/mol
Exact Mass315.27
IUPAC Name3-(4-ethylpiperazin-1-yl)-2-methyl-N-[(E)-2-methyl-3-phenylprop-2-enyl]propan-1-amine
SMILESCCN1CCN(CC(C)CNC/C(C)=C/c2ccccc2)CC1
InChIInChI=1S/C20H33N3/c1-4-22-10-12-23(13-11-22)17-19(3)16-21-15-18(2)14-20-8-6-5-7-9-20/h5-9,14,19,21H,4,10-13,15-17H2,1-3H3/b18-14+
InChIKeyBPTPIFRRTNWHPB-NBVRZTHBSA-N
XLogP2.95
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.50
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 75598908
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2-methyl-3-phenyl-N-(3-pyrrolidin-1-ylpropyl)prop-2-en-1-amine
CID 68681903
1-[[3-(aziridin-1-yl)-2-methylpropyl]amino]propan-2-one
CID 146258346
1-(1,3-dihydroisoindol-2-yl)-2-[(2-methyl-3-phenylprop-2-enyl)amino]ethanone
CID 127265895
N-[(2R)-3-(4-ethylpiperazin-1-yl)-2-methylpropyl]-2,2-difluoro-2-phenylacetamide
CID 97213356
2-benzyl-1-ethyl-3-[3-(4-ethylpiperazin-1-yl)-2-methylpropyl]guanidine;hydroiodide
CID 110954639
N-[3-(4-ethylpiperazin-1-yl)-2-methylpropyl]pyridin-2-amine
CID 86805423
2-ethoxy-N-[(2S)-3-(4-ethylpiperazin-1-yl)-2-methylpropyl]benzamide
CID 95336956
N-[3-(4-ethylpiperazin-1-yl)-2-methylpropyl]-N'-methyl-4-phenylpiperazine-1-carboximidamide
CID 110961993
N-[(E)-2-methyl-3-phenylprop-2-enyl]-1-propan-2-ylpiperidin-4-amine
CID 119107841
3-[[[3-(4-ethylpiperazin-1-yl)-2-methylpropyl]amino]methyl]benzonitrile
CID 119122330

Frequently Asked Questions

What is the IUPAC name of 3-(4-ethylpiperazin-1-yl)-2-methyl-N-[(E)-2-methyl-3-phenylprop-2-enyl]propan-1-amine?
The IUPAC name of 3-(4-ethylpiperazin-1-yl)-2-methyl-N-[(E)-2-methyl-3-phenylprop-2-enyl]propan-1-amine (CID 119122323) is 3-(4-ethylpiperazin-1-yl)-2-methyl-N-[(E)-2-methyl-3-phenylprop-2-enyl]propan-1-amine.
What is the SMILES notation for 3-(4-ethylpiperazin-1-yl)-2-methyl-N-[(E)-2-methyl-3-phenylprop-2-enyl]propan-1-amine?
The canonical SMILES for 3-(4-ethylpiperazin-1-yl)-2-methyl-N-[(E)-2-methyl-3-phenylprop-2-enyl]propan-1-amine is CCN1CCN(CC(C)CNC/C(C)=C/c2ccccc2)CC1.
What is the InChIKey of 3-(4-ethylpiperazin-1-yl)-2-methyl-N-[(E)-2-methyl-3-phenylprop-2-enyl]propan-1-amine?
The InChIKey is BPTPIFRRTNWHPB-NBVRZTHBSA-N. The full InChI is InChI=1S/C20H33N3/c1-4-22-10-12-23(13-11-22)17-19(3)16-21-15-18(2)14-20-8-6-5-7-9-20/h5-9,14,19,21H,4,10-13,15-17H2,1-3H3/b18-14+.
What are the key properties of 3-(4-ethylpiperazin-1-yl)-2-methyl-N-[(E)-2-methyl-3-phenylprop-2-enyl]propan-1-amine?
3-(4-ethylpiperazin-1-yl)-2-methyl-N-[(E)-2-methyl-3-phenylprop-2-enyl]propan-1-amine has a molecular weight of 315.50 g/mol, XLogP of 2.95, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethylpiperazin-1-yl)-2-methyl-N-[(E)-2-methyl-3-phenylprop-2-enyl]propan-1-amine is sourced from PubChem (CID 119122323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).