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

C16H31NO2 — CID 164549620

IUPACN-[2-(2-methoxyethoxy)ethyl]-4-methyl-4-prop-2-enylhept-6-en-2-amine
SMILESC=CCC(C)(CC=C)CC(C)NCCOCCOC
InChIInChI=1S/C16H31NO2/c1-6-8-16(4,9-7-2)14-15(3)17-10-11-19-13-12-18-5/h6-7,15,17H,1-2,8-14H2,3-5H3
InChIKeyVYICPJURANRFEF-UHFFFAOYSA-N
MW269.43 g/mol
LogP3.18
Rot. Bonds13

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

N-[2-(2-methoxyethoxy)ethyl]-4-methyl-4-prop-2-enylhept-6-en-2-amine (PubChem CID 164549620) has the molecular formula C16H31NO2 and a molecular weight of 269.43 g/mol. Its IUPAC name is N-[2-(2-methoxyethoxy)ethyl]-4-methyl-4-prop-2-enylhept-6-en-2-amine.

Molecular Properties

Compound NameN-[2-(2-methoxyethoxy)ethyl]-4-methyl-4-prop-2-enylhept-6-en-2-amine
PubChem CID164549620
Molecular FormulaC16H31NO2
Molecular Weight269.43 g/mol
Exact Mass269.24
IUPAC NameN-[2-(2-methoxyethoxy)ethyl]-4-methyl-4-prop-2-enylhept-6-en-2-amine
SMILESC=CCC(C)(CC=C)CC(C)NCCOCCOC
InChIInChI=1S/C16H31NO2/c1-6-8-16(4,9-7-2)14-15(3)17-10-11-19-13-12-18-5/h6-7,15,17H,1-2,8-14H2,3-5H3
InChIKeyVYICPJURANRFEF-UHFFFAOYSA-N
XLogP3.18
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.43
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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-methoxyethoxy)ethyl]-4-methyl-4-prop-2-enylhept-6-en-2-amine?
The IUPAC name of N-[2-(2-methoxyethoxy)ethyl]-4-methyl-4-prop-2-enylhept-6-en-2-amine (CID 164549620) is N-[2-(2-methoxyethoxy)ethyl]-4-methyl-4-prop-2-enylhept-6-en-2-amine.
What is the SMILES notation for N-[2-(2-methoxyethoxy)ethyl]-4-methyl-4-prop-2-enylhept-6-en-2-amine?
The canonical SMILES for N-[2-(2-methoxyethoxy)ethyl]-4-methyl-4-prop-2-enylhept-6-en-2-amine is C=CCC(C)(CC=C)CC(C)NCCOCCOC.
What is the InChIKey of N-[2-(2-methoxyethoxy)ethyl]-4-methyl-4-prop-2-enylhept-6-en-2-amine?
The InChIKey is VYICPJURANRFEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NO2/c1-6-8-16(4,9-7-2)14-15(3)17-10-11-19-13-12-18-5/h6-7,15,17H,1-2,8-14H2,3-5H3.
What are the key properties of N-[2-(2-methoxyethoxy)ethyl]-4-methyl-4-prop-2-enylhept-6-en-2-amine?
N-[2-(2-methoxyethoxy)ethyl]-4-methyl-4-prop-2-enylhept-6-en-2-amine has a molecular weight of 269.43 g/mol, XLogP of 3.18, 13 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methoxyethoxy)ethyl]-4-methyl-4-prop-2-enylhept-6-en-2-amine is sourced from PubChem (CID 164549620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).