ethane;2-methyl-N-[[4-[2-(4-methylpentoxy)ethyl]morpholin-2-yl]methyl]propan-1-amine

C19H42N2O2 — CID 176933389

IUPACethane;2-methyl-N-[[4-[2-(4-methylpentoxy)ethyl]morpholin-2-yl]methyl]propan-1-amine
SMILESCC.CC(C)CCCOCCN1CCOC(CNCC(C)C)C1
InChIInChI=1S/C17H36N2O2.C2H6/c1-15(2)6-5-9-20-10-7-19-8-11-21-17(14-19)13-18-12-16(3)4;1-2/h15-18H,5-14H2,1-4H3;1-2H3
InChIKeyCPUFUZZDZOLCFV-UHFFFAOYSA-N
MW330.56 g/mol
LogP3.41
Rot. Bonds11

About ethane;2-methyl-N-[[4-[2-(4-methylpentoxy)ethyl]morpholin-2-yl]methyl]propan-1-amine

ethane;2-methyl-N-[[4-[2-(4-methylpentoxy)ethyl]morpholin-2-yl]methyl]propan-1-amine (PubChem CID 176933389) has the molecular formula C19H42N2O2 and a molecular weight of 330.56 g/mol. Its IUPAC name is ethane;2-methyl-N-[[4-[2-(4-methylpentoxy)ethyl]morpholin-2-yl]methyl]propan-1-amine.

Molecular Properties

Compound Nameethane;2-methyl-N-[[4-[2-(4-methylpentoxy)ethyl]morpholin-2-yl]methyl]propan-1-amine
PubChem CID176933389
Molecular FormulaC19H42N2O2
Molecular Weight330.56 g/mol
Exact Mass330.32
IUPAC Nameethane;2-methyl-N-[[4-[2-(4-methylpentoxy)ethyl]morpholin-2-yl]methyl]propan-1-amine
SMILESCC.CC(C)CCCOCCN1CCOC(CNCC(C)C)C1
InChIInChI=1S/C17H36N2O2.C2H6/c1-15(2)6-5-9-20-10-7-19-8-11-21-17(14-19)13-18-12-16(3)4;1-2/h15-18H,5-14H2,1-4H3;1-2H3
InChIKeyCPUFUZZDZOLCFV-UHFFFAOYSA-N
XLogP3.41
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.56
LogP ≤ 53.41
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

2-methyl-N-[[4-[2-(3-methylbutoxy)ethyl]morpholin-2-yl]methyl]propan-1-amine
CID 167107358
N-[[4-(2-butoxyethyl)morpholin-2-yl]methyl]-2-methylpropan-1-amine
CID 163400398
N-[[(2S)-4-[2-(4,4-dimethylpentoxy)ethyl]morpholin-2-yl]methyl]-2-methylpropan-1-amine
CID 138727616
N-[[4-[2-(4-methylpentoxy)ethyl]morpholin-2-yl]methyl]butan-1-amine
CID 171540678
N,2-dimethylpropan-1-amine;4-(4-methylpentyl)morpholine;2-methyl-N-[[4-(2-propoxyethyl)morpholin-2-yl]methyl]propan-1-amine
CID 171540599
N-[[(2R)-4-[2-(4-methylpentoxy)ethyl]morpholin-2-yl]methyl]acetamide
CID 156802663
2-methyl-N-[2-[(2S)-2-[(2-methylpropylamino)methyl]morpholin-4-yl]ethyl]propan-1-amine
CID 138728370
N-[[(2S)-4-[2-(ethylamino)ethyl]morpholin-2-yl]methyl]-2-methylpropan-1-amine
CID 155188422
2-methyl-N-[[(2R)-4-[2-(propylamino)ethyl]morpholin-2-yl]methyl]propan-1-amine
CID 170057363
N-[[4-(2-propoxyethyl)morpholin-2-yl]methyl]ethanamine
CID 155404677
1-[(4-methylmorpholin-2-yl)methylamino]-3-(4-methylpentoxy)propan-2-ol
CID 78945233
N-methylformamide;2-methyl-4-[2-(4-methylpentoxy)ethyl]morpholine;2-methylpropane
CID 155582545

Frequently Asked Questions

What is the IUPAC name of ethane;2-methyl-N-[[4-[2-(4-methylpentoxy)ethyl]morpholin-2-yl]methyl]propan-1-amine?
The IUPAC name of ethane;2-methyl-N-[[4-[2-(4-methylpentoxy)ethyl]morpholin-2-yl]methyl]propan-1-amine (CID 176933389) is ethane;2-methyl-N-[[4-[2-(4-methylpentoxy)ethyl]morpholin-2-yl]methyl]propan-1-amine.
What is the SMILES notation for ethane;2-methyl-N-[[4-[2-(4-methylpentoxy)ethyl]morpholin-2-yl]methyl]propan-1-amine?
The canonical SMILES for ethane;2-methyl-N-[[4-[2-(4-methylpentoxy)ethyl]morpholin-2-yl]methyl]propan-1-amine is CC.CC(C)CCCOCCN1CCOC(CNCC(C)C)C1.
What is the InChIKey of ethane;2-methyl-N-[[4-[2-(4-methylpentoxy)ethyl]morpholin-2-yl]methyl]propan-1-amine?
The InChIKey is CPUFUZZDZOLCFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36N2O2.C2H6/c1-15(2)6-5-9-20-10-7-19-8-11-21-17(14-19)13-18-12-16(3)4;1-2/h15-18H,5-14H2,1-4H3;1-2H3.
What are the key properties of ethane;2-methyl-N-[[4-[2-(4-methylpentoxy)ethyl]morpholin-2-yl]methyl]propan-1-amine?
ethane;2-methyl-N-[[4-[2-(4-methylpentoxy)ethyl]morpholin-2-yl]methyl]propan-1-amine has a molecular weight of 330.56 g/mol, XLogP of 3.41, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-methyl-N-[[4-[2-(4-methylpentoxy)ethyl]morpholin-2-yl]methyl]propan-1-amine is sourced from PubChem (CID 176933389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).