ethane;N-methyl-2-[2-[2-[2-(3-methylbut-3-enoxy)ethoxy]ethoxy]ethoxy]ethanamine

C20H47NO4 — CID 142382423

IUPACethane;N-methyl-2-[2-[2-[2-(3-methylbut-3-enoxy)ethoxy]ethoxy]ethoxy]ethanamine
SMILESC=C(C)CCOCCOCCOCCOCCNC.CC.CC.CC
InChIInChI=1S/C14H29NO4.3C2H6/c1-14(2)4-6-16-8-10-18-12-13-19-11-9-17-7-5-15-3;3*1-2/h15H,1,4-13H2,2-3H3;3*1-2H3
InChIKeyIRTHGJQIVLQQSM-UHFFFAOYSA-N
MW365.60 g/mol
LogP4.32
Rot. Bonds15

About ethane;N-methyl-2-[2-[2-[2-(3-methylbut-3-enoxy)ethoxy]ethoxy]ethoxy]ethanamine

ethane;N-methyl-2-[2-[2-[2-(3-methylbut-3-enoxy)ethoxy]ethoxy]ethoxy]ethanamine (PubChem CID 142382423) has the molecular formula C20H47NO4 and a molecular weight of 365.60 g/mol. Its IUPAC name is ethane;N-methyl-2-[2-[2-[2-(3-methylbut-3-enoxy)ethoxy]ethoxy]ethoxy]ethanamine.

Molecular Properties

Compound Nameethane;N-methyl-2-[2-[2-[2-(3-methylbut-3-enoxy)ethoxy]ethoxy]ethoxy]ethanamine
PubChem CID142382423
Molecular FormulaC20H47NO4
Molecular Weight365.60 g/mol
Exact Mass365.35
IUPAC Nameethane;N-methyl-2-[2-[2-[2-(3-methylbut-3-enoxy)ethoxy]ethoxy]ethoxy]ethanamine
SMILESC=C(C)CCOCCOCCOCCOCCNC.CC.CC.CC
InChIInChI=1S/C14H29NO4.3C2H6/c1-14(2)4-6-16-8-10-18-12-13-19-11-9-17-7-5-15-3;3*1-2/h15H,1,4-13H2,2-3H3;3*1-2H3
InChIKeyIRTHGJQIVLQQSM-UHFFFAOYSA-N
XLogP4.32
TPSA48.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds15
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.60
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-2-(3-methylbut-3-enoxy)ethanamine
CID 114470713
2-[2-[2-(3-Methylbut-3-enoxy)ethoxy]ethoxy]ethanamine
CID 142585414
2-(2-but-3-enoxyethoxy)-N-methylethanamine;2-methoxy-2-methylpropane;propane
CID 145018893
2-[2-(3-Methylbut-3-enoxy)ethoxy]ethanamine
CID 148505333
2-(3-methylbut-3-enoxy)-N-[2-(2-propoxyethoxy)ethyl]ethanamine
CID 153377293
N-ethenyl-2-[2-[2-[2-[2-[2-[2-[2-(3-methylpenta-3,4-dienoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanamine
CID 155276531
N-methyl-2-[2-[2-[2-(3-methylidenepent-4-enoxy)ethoxy]ethoxy]ethoxy]ethanamine
CID 166461695
N-methyl-2-[2-(3-methylbut-3-enoxy)ethoxy]ethanamine
CID 169641240
3-methoxy-2-(3-methylbut-3-enoxy)-N-propylpropan-1-amine
CID 103229087
N-ethyl-3-methoxy-2-(3-methylbut-3-enoxy)propan-1-amine
CID 103229090
3-methoxy-N-methyl-2-(3-methylbut-3-enoxy)propan-1-amine
CID 103229094
2-but-3-enoxy-N-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]ethanamine
CID 106401441

Frequently Asked Questions

What is the IUPAC name of ethane;N-methyl-2-[2-[2-[2-(3-methylbut-3-enoxy)ethoxy]ethoxy]ethoxy]ethanamine?
The IUPAC name of ethane;N-methyl-2-[2-[2-[2-(3-methylbut-3-enoxy)ethoxy]ethoxy]ethoxy]ethanamine (CID 142382423) is ethane;N-methyl-2-[2-[2-[2-(3-methylbut-3-enoxy)ethoxy]ethoxy]ethoxy]ethanamine.
What is the SMILES notation for ethane;N-methyl-2-[2-[2-[2-(3-methylbut-3-enoxy)ethoxy]ethoxy]ethoxy]ethanamine?
The canonical SMILES for ethane;N-methyl-2-[2-[2-[2-(3-methylbut-3-enoxy)ethoxy]ethoxy]ethoxy]ethanamine is C=C(C)CCOCCOCCOCCOCCNC.CC.CC.CC.
What is the InChIKey of ethane;N-methyl-2-[2-[2-[2-(3-methylbut-3-enoxy)ethoxy]ethoxy]ethoxy]ethanamine?
The InChIKey is IRTHGJQIVLQQSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO4.3C2H6/c1-14(2)4-6-16-8-10-18-12-13-19-11-9-17-7-5-15-3;3*1-2/h15H,1,4-13H2,2-3H3;3*1-2H3.
What are the key properties of ethane;N-methyl-2-[2-[2-[2-(3-methylbut-3-enoxy)ethoxy]ethoxy]ethoxy]ethanamine?
ethane;N-methyl-2-[2-[2-[2-(3-methylbut-3-enoxy)ethoxy]ethoxy]ethoxy]ethanamine has a molecular weight of 365.60 g/mol, XLogP of 4.32, 15 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-methyl-2-[2-[2-[2-(3-methylbut-3-enoxy)ethoxy]ethoxy]ethoxy]ethanamine is sourced from PubChem (CID 142382423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).