ethane;N-[[(2S)-4-[2-(ethylamino)ethyl]morpholin-2-yl]methyl]-N,2-dimethylpropan-1-amine;molecular hydrogen

C16H39N3O — CID 171539494

IUPACethane;N-[[(2S)-4-[2-(ethylamino)ethyl]morpholin-2-yl]methyl]-N,2-dimethylpropan-1-amine;molecular hydrogen
SMILESCC.CCNCCN1CCO[C@@H](CN(C)CC(C)C)C1.[H][H]
InChIInChI=1S/C14H31N3O.C2H6.H2/c1-5-15-6-7-17-8-9-18-14(12-17)11-16(4)10-13(2)3;1-2;/h13-15H,5-12H2,1-4H3;1-2H3;1H/t14-;;/m0../s1
InChIKeyQSJCCTKYSWEYPG-UTLKBRERSA-N
MW289.51 g/mol
LogP2.16
Rot. Bonds8

About ethane;N-[[(2S)-4-[2-(ethylamino)ethyl]morpholin-2-yl]methyl]-N,2-dimethylpropan-1-amine;molecular hydrogen

ethane;N-[[(2S)-4-[2-(ethylamino)ethyl]morpholin-2-yl]methyl]-N,2-dimethylpropan-1-amine;molecular hydrogen (PubChem CID 171539494) has the molecular formula C16H39N3O and a molecular weight of 289.51 g/mol. Its IUPAC name is ethane;N-[[(2S)-4-[2-(ethylamino)ethyl]morpholin-2-yl]methyl]-N,2-dimethylpropan-1-amine;molecular hydrogen.

Molecular Properties

Compound Nameethane;N-[[(2S)-4-[2-(ethylamino)ethyl]morpholin-2-yl]methyl]-N,2-dimethylpropan-1-amine;molecular hydrogen
PubChem CID171539494
Molecular FormulaC16H39N3O
Molecular Weight289.51 g/mol
Exact Mass289.31
IUPAC Nameethane;N-[[(2S)-4-[2-(ethylamino)ethyl]morpholin-2-yl]methyl]-N,2-dimethylpropan-1-amine;molecular hydrogen
SMILESCC.CCNCCN1CCO[C@@H](CN(C)CC(C)C)C1.[H][H]
InChIInChI=1S/C14H31N3O.C2H6.H2/c1-5-15-6-7-17-8-9-18-14(12-17)11-16(4)10-13(2)3;1-2;/h13-15H,5-12H2,1-4H3;1-2H3;1H/t14-;;/m0../s1
InChIKeyQSJCCTKYSWEYPG-UTLKBRERSA-N
XLogP2.16
TPSA27.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.51
LogP ≤ 52.16
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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Frequently Asked Questions

What is the IUPAC name of ethane;N-[[(2S)-4-[2-(ethylamino)ethyl]morpholin-2-yl]methyl]-N,2-dimethylpropan-1-amine;molecular hydrogen?
The IUPAC name of ethane;N-[[(2S)-4-[2-(ethylamino)ethyl]morpholin-2-yl]methyl]-N,2-dimethylpropan-1-amine;molecular hydrogen (CID 171539494) is ethane;N-[[(2S)-4-[2-(ethylamino)ethyl]morpholin-2-yl]methyl]-N,2-dimethylpropan-1-amine;molecular hydrogen.
What is the SMILES notation for ethane;N-[[(2S)-4-[2-(ethylamino)ethyl]morpholin-2-yl]methyl]-N,2-dimethylpropan-1-amine;molecular hydrogen?
The canonical SMILES for ethane;N-[[(2S)-4-[2-(ethylamino)ethyl]morpholin-2-yl]methyl]-N,2-dimethylpropan-1-amine;molecular hydrogen is CC.CCNCCN1CCO[C@@H](CN(C)CC(C)C)C1.[H][H].
What is the InChIKey of ethane;N-[[(2S)-4-[2-(ethylamino)ethyl]morpholin-2-yl]methyl]-N,2-dimethylpropan-1-amine;molecular hydrogen?
The InChIKey is QSJCCTKYSWEYPG-UTLKBRERSA-N. The full InChI is InChI=1S/C14H31N3O.C2H6.H2/c1-5-15-6-7-17-8-9-18-14(12-17)11-16(4)10-13(2)3;1-2;/h13-15H,5-12H2,1-4H3;1-2H3;1H/t14-;;/m0../s1.
What are the key properties of ethane;N-[[(2S)-4-[2-(ethylamino)ethyl]morpholin-2-yl]methyl]-N,2-dimethylpropan-1-amine;molecular hydrogen?
ethane;N-[[(2S)-4-[2-(ethylamino)ethyl]morpholin-2-yl]methyl]-N,2-dimethylpropan-1-amine;molecular hydrogen has a molecular weight of 289.51 g/mol, XLogP of 2.16, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-[[(2S)-4-[2-(ethylamino)ethyl]morpholin-2-yl]methyl]-N,2-dimethylpropan-1-amine;molecular hydrogen is sourced from PubChem (CID 171539494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).