N-[2-[2-[2-(ethoxymethoxy)ethoxy]ethoxy]ethyl]-4-methyl-4-prop-2-enylhept-6-en-2-amine

C20H39NO4 — CID 164549619

IUPACN-[2-[2-[2-(ethoxymethoxy)ethoxy]ethoxy]ethyl]-4-methyl-4-prop-2-enylhept-6-en-2-amine
SMILESC=CCC(C)(CC=C)CC(C)NCCOCCOCCOCOCC
InChIInChI=1S/C20H39NO4/c1-6-9-20(5,10-7-2)17-19(4)21-11-12-23-13-14-24-15-16-25-18-22-8-3/h6-7,19,21H,1-2,8-18H2,3-5H3
InChIKeyLUAZSTJXYGIXKS-UHFFFAOYSA-N
MW357.54 g/mol
LogP3.56
Rot. Bonds19

About N-[2-[2-[2-(ethoxymethoxy)ethoxy]ethoxy]ethyl]-4-methyl-4-prop-2-enylhept-6-en-2-amine

N-[2-[2-[2-(ethoxymethoxy)ethoxy]ethoxy]ethyl]-4-methyl-4-prop-2-enylhept-6-en-2-amine (PubChem CID 164549619) has the molecular formula C20H39NO4 and a molecular weight of 357.54 g/mol. Its IUPAC name is N-[2-[2-[2-(ethoxymethoxy)ethoxy]ethoxy]ethyl]-4-methyl-4-prop-2-enylhept-6-en-2-amine.

Molecular Properties

Compound NameN-[2-[2-[2-(ethoxymethoxy)ethoxy]ethoxy]ethyl]-4-methyl-4-prop-2-enylhept-6-en-2-amine
PubChem CID164549619
Molecular FormulaC20H39NO4
Molecular Weight357.54 g/mol
Exact Mass357.29
IUPAC NameN-[2-[2-[2-(ethoxymethoxy)ethoxy]ethoxy]ethyl]-4-methyl-4-prop-2-enylhept-6-en-2-amine
SMILESC=CCC(C)(CC=C)CC(C)NCCOCCOCCOCOCC
InChIInChI=1S/C20H39NO4/c1-6-9-20(5,10-7-2)17-19(4)21-11-12-23-13-14-24-15-16-25-18-22-8-3/h6-7,19,21H,1-2,8-18H2,3-5H3
InChIKeyLUAZSTJXYGIXKS-UHFFFAOYSA-N
XLogP3.56
TPSA48.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds19
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.54
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[2-(ethoxymethoxy)ethoxy]ethoxy]ethyl]-4-methyl-4-prop-2-enylhept-6-en-2-amine?
The IUPAC name of N-[2-[2-[2-(ethoxymethoxy)ethoxy]ethoxy]ethyl]-4-methyl-4-prop-2-enylhept-6-en-2-amine (CID 164549619) is N-[2-[2-[2-(ethoxymethoxy)ethoxy]ethoxy]ethyl]-4-methyl-4-prop-2-enylhept-6-en-2-amine.
What is the SMILES notation for N-[2-[2-[2-(ethoxymethoxy)ethoxy]ethoxy]ethyl]-4-methyl-4-prop-2-enylhept-6-en-2-amine?
The canonical SMILES for N-[2-[2-[2-(ethoxymethoxy)ethoxy]ethoxy]ethyl]-4-methyl-4-prop-2-enylhept-6-en-2-amine is C=CCC(C)(CC=C)CC(C)NCCOCCOCCOCOCC.
What is the InChIKey of N-[2-[2-[2-(ethoxymethoxy)ethoxy]ethoxy]ethyl]-4-methyl-4-prop-2-enylhept-6-en-2-amine?
The InChIKey is LUAZSTJXYGIXKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H39NO4/c1-6-9-20(5,10-7-2)17-19(4)21-11-12-23-13-14-24-15-16-25-18-22-8-3/h6-7,19,21H,1-2,8-18H2,3-5H3.
What are the key properties of N-[2-[2-[2-(ethoxymethoxy)ethoxy]ethoxy]ethyl]-4-methyl-4-prop-2-enylhept-6-en-2-amine?
N-[2-[2-[2-(ethoxymethoxy)ethoxy]ethoxy]ethyl]-4-methyl-4-prop-2-enylhept-6-en-2-amine has a molecular weight of 357.54 g/mol, XLogP of 3.56, 19 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-[2-(ethoxymethoxy)ethoxy]ethoxy]ethyl]-4-methyl-4-prop-2-enylhept-6-en-2-amine is sourced from PubChem (CID 164549619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).