ethane;N-[3-[4-[3-[methyl(propan-2-yl)amino]propyl]piperazin-1-yl]propyl]propanamide

C19H42N4O — CID 171070832

IUPACethane;N-[3-[4-[3-[methyl(propan-2-yl)amino]propyl]piperazin-1-yl]propyl]propanamide
SMILESCC.CCC(=O)NCCCN1CCN(CCCN(C)C(C)C)CC1
InChIInChI=1S/C17H36N4O.C2H6/c1-5-17(22)18-8-6-10-20-12-14-21(15-13-20)11-7-9-19(4)16(2)3;1-2/h16H,5-15H2,1-4H3,(H,18,22);1-2H3
InChIKeyFIPXXOBIYJFLDV-UHFFFAOYSA-N
MW342.57 g/mol
LogP2.28
Rot. Bonds10

About ethane;N-[3-[4-[3-[methyl(propan-2-yl)amino]propyl]piperazin-1-yl]propyl]propanamide

ethane;N-[3-[4-[3-[methyl(propan-2-yl)amino]propyl]piperazin-1-yl]propyl]propanamide (PubChem CID 171070832) has the molecular formula C19H42N4O and a molecular weight of 342.57 g/mol. Its IUPAC name is ethane;N-[3-[4-[3-[methyl(propan-2-yl)amino]propyl]piperazin-1-yl]propyl]propanamide.

Molecular Properties

Compound Nameethane;N-[3-[4-[3-[methyl(propan-2-yl)amino]propyl]piperazin-1-yl]propyl]propanamide
PubChem CID171070832
Molecular FormulaC19H42N4O
Molecular Weight342.57 g/mol
Exact Mass342.34
IUPAC Nameethane;N-[3-[4-[3-[methyl(propan-2-yl)amino]propyl]piperazin-1-yl]propyl]propanamide
SMILESCC.CCC(=O)NCCCN1CCN(CCCN(C)C(C)C)CC1
InChIInChI=1S/C17H36N4O.C2H6/c1-5-17(22)18-8-6-10-20-12-14-21(15-13-20)11-7-9-19(4)16(2)3;1-2/h16H,5-15H2,1-4H3,(H,18,22);1-2H3
InChIKeyFIPXXOBIYJFLDV-UHFFFAOYSA-N
XLogP2.28
TPSA38.82 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.57
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[4-[3-[methyl(propan-2-yl)amino]propyl]piperazin-1-yl]ethanone
CID 59289508
3-(dimethylamino)-N-[3-(4-ethylpiperazin-1-yl)propyl]propanamide
CID 110442446
2-(4-aminopiperidin-1-yl)-N-[4-[methyl(propan-2-yl)amino]butyl]acetamide
CID 79328181
3-[3-[4-[3-[bis[3-(decylamino)-2-hydroxy-3-oxopropyl]amino]propyl]piperazin-1-yl]propyl-[3-(decylamino)-2-hydroxy-3-oxopropyl]amino]-N-decyl-2-hydroxypropanamide
CID 176741157
N-[7-[3-[methyl-[2-[methyl(propan-2-yl)amino]ethyl]amino]propyl]-7-azaspiro[3.5]nonan-3-yl]propanamide
CID 166466813
2-hydroxy-N-[3-[4-[3-[(2-hydroxyacetyl)amino]propyl]piperazin-1-yl]propyl]acetamide
CID 142043493
ethane;N-(2-piperidin-1-ylethyl)propanamide
CID 143432690
2-[2-[methyl(propan-2-yl)amino]ethylamino]-N-propylacetamide
CID 62642701
N-[3-[4-[3-(octadecanoylamino)propyl]piperazin-1-yl]propyl]octadecanamide
CID 54494521
2-(2-methoxyethoxy)-N-[3-[methyl(propan-2-yl)amino]propyl]acetamide
CID 103614127
N-[2-[2-[2-[2-(4-ethylpiperazin-1-yl)ethoxy]ethoxy]ethoxy]ethyl]propanamide
CID 155751864
1-[3-(azepan-1-yl)propyl]-2-methyl-3-[2-[methyl(propan-2-yl)amino]ethyl]guanidine;hydroiodide
CID 111325263

Frequently Asked Questions

What is the IUPAC name of ethane;N-[3-[4-[3-[methyl(propan-2-yl)amino]propyl]piperazin-1-yl]propyl]propanamide?
The IUPAC name of ethane;N-[3-[4-[3-[methyl(propan-2-yl)amino]propyl]piperazin-1-yl]propyl]propanamide (CID 171070832) is ethane;N-[3-[4-[3-[methyl(propan-2-yl)amino]propyl]piperazin-1-yl]propyl]propanamide.
What is the SMILES notation for ethane;N-[3-[4-[3-[methyl(propan-2-yl)amino]propyl]piperazin-1-yl]propyl]propanamide?
The canonical SMILES for ethane;N-[3-[4-[3-[methyl(propan-2-yl)amino]propyl]piperazin-1-yl]propyl]propanamide is CC.CCC(=O)NCCCN1CCN(CCCN(C)C(C)C)CC1.
What is the InChIKey of ethane;N-[3-[4-[3-[methyl(propan-2-yl)amino]propyl]piperazin-1-yl]propyl]propanamide?
The InChIKey is FIPXXOBIYJFLDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36N4O.C2H6/c1-5-17(22)18-8-6-10-20-12-14-21(15-13-20)11-7-9-19(4)16(2)3;1-2/h16H,5-15H2,1-4H3,(H,18,22);1-2H3.
What are the key properties of ethane;N-[3-[4-[3-[methyl(propan-2-yl)amino]propyl]piperazin-1-yl]propyl]propanamide?
ethane;N-[3-[4-[3-[methyl(propan-2-yl)amino]propyl]piperazin-1-yl]propyl]propanamide has a molecular weight of 342.57 g/mol, XLogP of 2.28, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-[3-[4-[3-[methyl(propan-2-yl)amino]propyl]piperazin-1-yl]propyl]propanamide is sourced from PubChem (CID 171070832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).