ethane;N-ethyl-N,3-dimethylhex-4-yn-1-amine;N-methyl-3-morpholin-4-ylprop-1-yn-1-amine

C20H39N3O — CID 143536413

IUPACethane;N-ethyl-N,3-dimethylhex-4-yn-1-amine;N-methyl-3-morpholin-4-ylprop-1-yn-1-amine
SMILESCC.CC#CC(C)CCN(C)CC.CNC#CCN1CCOCC1
InChIInChI=1S/C10H19N.C8H14N2O.C2H6/c1-5-7-10(3)8-9-11(4)6-2;1-9-3-2-4-10-5-7-11-8-6-10;1-2/h10H,6,8-9H2,1-4H3;9H,4-8H2,1H3;1-2H3
InChIKeyFUKQYIVVBUNYTM-UHFFFAOYSA-N
MW337.55 g/mol
LogP2.51
Rot. Bonds5

About ethane;N-ethyl-N,3-dimethylhex-4-yn-1-amine;N-methyl-3-morpholin-4-ylprop-1-yn-1-amine

ethane;N-ethyl-N,3-dimethylhex-4-yn-1-amine;N-methyl-3-morpholin-4-ylprop-1-yn-1-amine (PubChem CID 143536413) has the molecular formula C20H39N3O and a molecular weight of 337.55 g/mol. Its IUPAC name is ethane;N-ethyl-N,3-dimethylhex-4-yn-1-amine;N-methyl-3-morpholin-4-ylprop-1-yn-1-amine.

Molecular Properties

Compound Nameethane;N-ethyl-N,3-dimethylhex-4-yn-1-amine;N-methyl-3-morpholin-4-ylprop-1-yn-1-amine
PubChem CID143536413
Molecular FormulaC20H39N3O
Molecular Weight337.55 g/mol
Exact Mass337.31
IUPAC Nameethane;N-ethyl-N,3-dimethylhex-4-yn-1-amine;N-methyl-3-morpholin-4-ylprop-1-yn-1-amine
SMILESCC.CC#CC(C)CCN(C)CC.CNC#CCN1CCOCC1
InChIInChI=1S/C10H19N.C8H14N2O.C2H6/c1-5-7-10(3)8-9-11(4)6-2;1-9-3-2-4-10-5-7-11-8-6-10;1-2/h10H,6,8-9H2,1-4H3;9H,4-8H2,1H3;1-2H3
InChIKeyFUKQYIVVBUNYTM-UHFFFAOYSA-N
XLogP2.51
TPSA27.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.55
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze ethane;N-ethyl-N,3-dimethylhex-4-yn-1-amine;N-methyl-3-morpholin-4-ylprop-1-yn-1-amine with MolForge

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Related Compounds

N,N-dimethyl-6-morpholin-4-ylhexa-2,4-diyn-1-amine
CID 91621873
N,2-dimethylpropan-1-amine;ethane;3-morpholin-4-ylprop-1-yn-1-amine
CID 170584460
2-methyl-6-morpholin-4-ylhex-4-yn-3-ol
CID 15356979
(2R)-6-morpholin-4-ylhex-4-yn-2-ol
CID 7272443
ethane;4-prop-2-ynylmorpholine
CID 144709407
ethane;1-N-ethyl-1-N,3-N-dimethylbutane-1,3-diamine
CID 153352387
ethane;N-ethyl-N,3-dimethylbutan-1-amine
CID 143818510
N,N-diethyl-3-methyl-6-morpholin-4-ylhexan-1-amine
CID 142218113
N,N-dimethylpropan-1-amine;4-(4-methylpentyl)morpholine
CID 176932414
N,2-dimethyl-N-(2-morpholin-4-ylethyl)propan-1-amine;N-methylpropan-1-amine
CID 155707617
CID 58998022
CID 58998022
[(2R)-5-morpholin-4-ylpent-3-yn-2-yl] acetate
CID 847500

Frequently Asked Questions

What is the IUPAC name of ethane;N-ethyl-N,3-dimethylhex-4-yn-1-amine;N-methyl-3-morpholin-4-ylprop-1-yn-1-amine?
The IUPAC name of ethane;N-ethyl-N,3-dimethylhex-4-yn-1-amine;N-methyl-3-morpholin-4-ylprop-1-yn-1-amine (CID 143536413) is ethane;N-ethyl-N,3-dimethylhex-4-yn-1-amine;N-methyl-3-morpholin-4-ylprop-1-yn-1-amine.
What is the SMILES notation for ethane;N-ethyl-N,3-dimethylhex-4-yn-1-amine;N-methyl-3-morpholin-4-ylprop-1-yn-1-amine?
The canonical SMILES for ethane;N-ethyl-N,3-dimethylhex-4-yn-1-amine;N-methyl-3-morpholin-4-ylprop-1-yn-1-amine is CC.CC#CC(C)CCN(C)CC.CNC#CCN1CCOCC1.
What is the InChIKey of ethane;N-ethyl-N,3-dimethylhex-4-yn-1-amine;N-methyl-3-morpholin-4-ylprop-1-yn-1-amine?
The InChIKey is FUKQYIVVBUNYTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N.C8H14N2O.C2H6/c1-5-7-10(3)8-9-11(4)6-2;1-9-3-2-4-10-5-7-11-8-6-10;1-2/h10H,6,8-9H2,1-4H3;9H,4-8H2,1H3;1-2H3.
What are the key properties of ethane;N-ethyl-N,3-dimethylhex-4-yn-1-amine;N-methyl-3-morpholin-4-ylprop-1-yn-1-amine?
ethane;N-ethyl-N,3-dimethylhex-4-yn-1-amine;N-methyl-3-morpholin-4-ylprop-1-yn-1-amine has a molecular weight of 337.55 g/mol, XLogP of 2.51, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-ethyl-N,3-dimethylhex-4-yn-1-amine;N-methyl-3-morpholin-4-ylprop-1-yn-1-amine is sourced from PubChem (CID 143536413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).