N,N-dimethylethanamine;methoxyethane;tris(2-methylbutane);2-methylbut-2-ene

C27H65NO — CID 159474446

IUPACN,N-dimethylethanamine;methoxyethane;tris(2-methylbutane);2-methylbut-2-ene
SMILESCC=C(C)C.CCC(C)C.CCC(C)C.CCC(C)C.CCN(C)C.CCOC
InChIInChI=1S/3C5H12.C5H10.C4H11N.C3H8O/c5*1-4-5(2)3;1-3-4-2/h3*5H,4H2,1-3H3;4H,1-3H3;4H2,1-3H3;3H2,1-2H3
InChIKeyLWEXFCCCDAHELK-UHFFFAOYSA-N
MW419.82 g/mol
LogP9.35
Rot. Bonds5

About N,N-dimethylethanamine;methoxyethane;tris(2-methylbutane);2-methylbut-2-ene

N,N-dimethylethanamine;methoxyethane;tris(2-methylbutane);2-methylbut-2-ene (PubChem CID 159474446) has the molecular formula C27H65NO and a molecular weight of 419.82 g/mol. Its IUPAC name is N,N-dimethylethanamine;methoxyethane;tris(2-methylbutane);2-methylbut-2-ene.

Molecular Properties

Compound NameN,N-dimethylethanamine;methoxyethane;tris(2-methylbutane);2-methylbut-2-ene
PubChem CID159474446
Molecular FormulaC27H65NO
Molecular Weight419.82 g/mol
Exact Mass419.51
IUPAC NameN,N-dimethylethanamine;methoxyethane;tris(2-methylbutane);2-methylbut-2-ene
SMILESCC=C(C)C.CCC(C)C.CCC(C)C.CCC(C)C.CCN(C)C.CCOC
InChIInChI=1S/3C5H12.C5H10.C4H11N.C3H8O/c5*1-4-5(2)3;1-3-4-2/h3*5H,4H2,1-3H3;4H,1-3H3;4H2,1-3H3;3H2,1-2H3
InChIKeyLWEXFCCCDAHELK-UHFFFAOYSA-N
XLogP9.35
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.82
LogP ≤ 59.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-methylbutane;bis(2-methylbut-2-ene)
CID 162288148
N,N-dimethylethanamine;2-methylpropane
CID 145274023
cyclopentane;cyclopentene;2-methylbutane;2-methylbut-2-ene
CID 157067229
ethane;methoxyethane;2-methylpropane
CID 144654475
(Z)-but-2-ene;(E)-but-2-en-2-ol;N,N-dimethylethanamine;ethane;2,2,4-trimethylpentane
CID 142052859
N,N-dimethylethanamine;(Z)-N,N-dimethylprop-1-en-1-amine;2-methylbutane;2-methylbut-2-ene;2-methylpentane;2-methylpent-2-ene;(Z)-3-methylpent-2-ene;(Z)-4-methylpent-2-ene;2-methylpropane
CID 157119159
2-methylbutane
CID 158117812
2-methylbutane
CID 159175971
N-ethyl-2-(1-methoxypropan-2-ylamino)-N-methylacetamide
CID 43309563
hydroxylamine;2-methylbutane
CID 175063986
CID 101086860
CID 101086860
acetic acid;2-methylbutane
CID 172862544

Frequently Asked Questions

What is the IUPAC name of N,N-dimethylethanamine;methoxyethane;tris(2-methylbutane);2-methylbut-2-ene?
The IUPAC name of N,N-dimethylethanamine;methoxyethane;tris(2-methylbutane);2-methylbut-2-ene (CID 159474446) is N,N-dimethylethanamine;methoxyethane;tris(2-methylbutane);2-methylbut-2-ene.
What is the SMILES notation for N,N-dimethylethanamine;methoxyethane;tris(2-methylbutane);2-methylbut-2-ene?
The canonical SMILES for N,N-dimethylethanamine;methoxyethane;tris(2-methylbutane);2-methylbut-2-ene is CC=C(C)C.CCC(C)C.CCC(C)C.CCC(C)C.CCN(C)C.CCOC.
What is the InChIKey of N,N-dimethylethanamine;methoxyethane;tris(2-methylbutane);2-methylbut-2-ene?
The InChIKey is LWEXFCCCDAHELK-UHFFFAOYSA-N. The full InChI is InChI=1S/3C5H12.C5H10.C4H11N.C3H8O/c5*1-4-5(2)3;1-3-4-2/h3*5H,4H2,1-3H3;4H,1-3H3;4H2,1-3H3;3H2,1-2H3.
What are the key properties of N,N-dimethylethanamine;methoxyethane;tris(2-methylbutane);2-methylbut-2-ene?
N,N-dimethylethanamine;methoxyethane;tris(2-methylbutane);2-methylbut-2-ene has a molecular weight of 419.82 g/mol, XLogP of 9.35, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethylethanamine;methoxyethane;tris(2-methylbutane);2-methylbut-2-ene is sourced from PubChem (CID 159474446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).