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

C18H35NO3 — CID 164549621

IUPACN-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-4-methyl-4-prop-2-enylhept-6-en-2-amine
SMILESC=CCC(C)(CC=C)CC(C)NCCOCCOCCOC
InChIInChI=1S/C18H35NO3/c1-6-8-18(4,9-7-2)16-17(3)19-10-11-21-14-15-22-13-12-20-5/h6-7,17,19H,1-2,8-16H2,3-5H3
InChIKeyKMUUFNJAFWRTOM-UHFFFAOYSA-N
MW313.48 g/mol
LogP3.19
Rot. Bonds16

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

N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-4-methyl-4-prop-2-enylhept-6-en-2-amine (PubChem CID 164549621) has the molecular formula C18H35NO3 and a molecular weight of 313.48 g/mol. Its IUPAC name is N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-4-methyl-4-prop-2-enylhept-6-en-2-amine.

Molecular Properties

Compound NameN-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-4-methyl-4-prop-2-enylhept-6-en-2-amine
PubChem CID164549621
Molecular FormulaC18H35NO3
Molecular Weight313.48 g/mol
Exact Mass313.26
IUPAC NameN-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-4-methyl-4-prop-2-enylhept-6-en-2-amine
SMILESC=CCC(C)(CC=C)CC(C)NCCOCCOCCOC
InChIInChI=1S/C18H35NO3/c1-6-8-18(4,9-7-2)16-17(3)19-10-11-21-14-15-22-13-12-20-5/h6-7,17,19H,1-2,8-16H2,3-5H3
InChIKeyKMUUFNJAFWRTOM-UHFFFAOYSA-N
XLogP3.19
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds16
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.48
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-(2-methoxyethoxy)ethoxy]ethyl]-4-methyl-4-prop-2-enylhept-6-en-2-amine?
The IUPAC name of N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-4-methyl-4-prop-2-enylhept-6-en-2-amine (CID 164549621) is N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-4-methyl-4-prop-2-enylhept-6-en-2-amine.
What is the SMILES notation for N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-4-methyl-4-prop-2-enylhept-6-en-2-amine?
The canonical SMILES for N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-4-methyl-4-prop-2-enylhept-6-en-2-amine is C=CCC(C)(CC=C)CC(C)NCCOCCOCCOC.
What is the InChIKey of N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-4-methyl-4-prop-2-enylhept-6-en-2-amine?
The InChIKey is KMUUFNJAFWRTOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35NO3/c1-6-8-18(4,9-7-2)16-17(3)19-10-11-21-14-15-22-13-12-20-5/h6-7,17,19H,1-2,8-16H2,3-5H3.
What are the key properties of N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-4-methyl-4-prop-2-enylhept-6-en-2-amine?
N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-4-methyl-4-prop-2-enylhept-6-en-2-amine has a molecular weight of 313.48 g/mol, XLogP of 3.19, 16 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-4-methyl-4-prop-2-enylhept-6-en-2-amine is sourced from PubChem (CID 164549621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).