6-ethyl-N,2,2,4,4,6-hexamethyl-N-[3,3,5-trimethyl-5-[5-methylidene-4-(3-methylpentan-3-yl)pyrazin-2-yl]-2-(propan-2-ylideneamino)hex-1-enyl]octan-1-amine

C39H72N4 — CID 123798797

IUPAC6-ethyl-N,2,2,4,4,6-hexamethyl-N-[3,3,5-trimethyl-5-[5-methylidene-4-(3-methylpentan-3-yl)pyrazin-2-yl]-2-(propan-2-ylideneamino)hex-1-enyl]octan-1-amine
SMILESC=C1C=NC(C(C)(C)CC(C)(C)C(=CN(C)CC(C)(C)CC(C)(C)CC(C)(CC)CC)N=C(C)C)=CN1C(C)(CC)CC
InChIInChI=1S/C39H72N4/c1-19-38(16,20-2)27-34(8,9)26-35(10,11)29-42(18)24-33(41-30(5)6)37(14,15)28-36(12,13)32-25-43(31(7)23-40-32)39(17,21-3)22-4/h23-25H,7,19-22,26-29H2,1-6,8-18H3
InChIKeyGVGXCONJWHOACX-UHFFFAOYSA-N
MW597.03 g/mol
LogP11.66
Rot. Bonds17

About 6-ethyl-N,2,2,4,4,6-hexamethyl-N-[3,3,5-trimethyl-5-[5-methylidene-4-(3-methylpentan-3-yl)pyrazin-2-yl]-2-(propan-2-ylideneamino)hex-1-enyl]octan-1-amine

6-ethyl-N,2,2,4,4,6-hexamethyl-N-[3,3,5-trimethyl-5-[5-methylidene-4-(3-methylpentan-3-yl)pyrazin-2-yl]-2-(propan-2-ylideneamino)hex-1-enyl]octan-1-amine (PubChem CID 123798797) has the molecular formula C39H72N4 and a molecular weight of 597.03 g/mol. Its IUPAC name is 6-ethyl-N,2,2,4,4,6-hexamethyl-N-[3,3,5-trimethyl-5-[5-methylidene-4-(3-methylpentan-3-yl)pyrazin-2-yl]-2-(propan-2-ylideneamino)hex-1-enyl]octan-1-amine.

Molecular Properties

Compound Name6-ethyl-N,2,2,4,4,6-hexamethyl-N-[3,3,5-trimethyl-5-[5-methylidene-4-(3-methylpentan-3-yl)pyrazin-2-yl]-2-(propan-2-ylideneamino)hex-1-enyl]octan-1-amine
PubChem CID123798797
Molecular FormulaC39H72N4
Molecular Weight597.03 g/mol
Exact Mass596.58
IUPAC Name6-ethyl-N,2,2,4,4,6-hexamethyl-N-[3,3,5-trimethyl-5-[5-methylidene-4-(3-methylpentan-3-yl)pyrazin-2-yl]-2-(propan-2-ylideneamino)hex-1-enyl]octan-1-amine
SMILESC=C1C=NC(C(C)(C)CC(C)(C)C(=CN(C)CC(C)(C)CC(C)(C)CC(C)(CC)CC)N=C(C)C)=CN1C(C)(CC)CC
InChIInChI=1S/C39H72N4/c1-19-38(16,20-2)27-34(8,9)26-35(10,11)29-42(18)24-33(41-30(5)6)37(14,15)28-36(12,13)32-25-43(31(7)23-40-32)39(17,21-3)22-4/h23-25H,7,19-22,26-29H2,1-6,8-18H3
InChIKeyGVGXCONJWHOACX-UHFFFAOYSA-N
XLogP11.66
TPSA31.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds17
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500597.03
LogP ≤ 511.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 6-ethyl-N,2,2,4,4,6-hexamethyl-N-[3,3,5-trimethyl-5-[5-methylidene-4-(3-methylpentan-3-yl)pyrazin-2-yl]-2-(propan-2-ylideneamino)hex-1-enyl]octan-1-amine with MolForge

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Related Compounds

6-(5-ethylheptyl)-1-(3-methylbutyl)-2H-pyrazine
CID 123149816
1-(3-methylbutyl)-5-(7-methyloctyl)-2H-pyrazine
CID 123474836
1-(4-methylpentyl)-6-(7-methylundecyl)-2H-pyrazine
CID 123998901

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-N,2,2,4,4,6-hexamethyl-N-[3,3,5-trimethyl-5-[5-methylidene-4-(3-methylpentan-3-yl)pyrazin-2-yl]-2-(propan-2-ylideneamino)hex-1-enyl]octan-1-amine?
The IUPAC name of 6-ethyl-N,2,2,4,4,6-hexamethyl-N-[3,3,5-trimethyl-5-[5-methylidene-4-(3-methylpentan-3-yl)pyrazin-2-yl]-2-(propan-2-ylideneamino)hex-1-enyl]octan-1-amine (CID 123798797) is 6-ethyl-N,2,2,4,4,6-hexamethyl-N-[3,3,5-trimethyl-5-[5-methylidene-4-(3-methylpentan-3-yl)pyrazin-2-yl]-2-(propan-2-ylideneamino)hex-1-enyl]octan-1-amine.
What is the SMILES notation for 6-ethyl-N,2,2,4,4,6-hexamethyl-N-[3,3,5-trimethyl-5-[5-methylidene-4-(3-methylpentan-3-yl)pyrazin-2-yl]-2-(propan-2-ylideneamino)hex-1-enyl]octan-1-amine?
The canonical SMILES for 6-ethyl-N,2,2,4,4,6-hexamethyl-N-[3,3,5-trimethyl-5-[5-methylidene-4-(3-methylpentan-3-yl)pyrazin-2-yl]-2-(propan-2-ylideneamino)hex-1-enyl]octan-1-amine is C=C1C=NC(C(C)(C)CC(C)(C)C(=CN(C)CC(C)(C)CC(C)(C)CC(C)(CC)CC)N=C(C)C)=CN1C(C)(CC)CC.
What is the InChIKey of 6-ethyl-N,2,2,4,4,6-hexamethyl-N-[3,3,5-trimethyl-5-[5-methylidene-4-(3-methylpentan-3-yl)pyrazin-2-yl]-2-(propan-2-ylideneamino)hex-1-enyl]octan-1-amine?
The InChIKey is GVGXCONJWHOACX-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H72N4/c1-19-38(16,20-2)27-34(8,9)26-35(10,11)29-42(18)24-33(41-30(5)6)37(14,15)28-36(12,13)32-25-43(31(7)23-40-32)39(17,21-3)22-4/h23-25H,7,19-22,26-29H2,1-6,8-18H3.
What are the key properties of 6-ethyl-N,2,2,4,4,6-hexamethyl-N-[3,3,5-trimethyl-5-[5-methylidene-4-(3-methylpentan-3-yl)pyrazin-2-yl]-2-(propan-2-ylideneamino)hex-1-enyl]octan-1-amine?
6-ethyl-N,2,2,4,4,6-hexamethyl-N-[3,3,5-trimethyl-5-[5-methylidene-4-(3-methylpentan-3-yl)pyrazin-2-yl]-2-(propan-2-ylideneamino)hex-1-enyl]octan-1-amine has a molecular weight of 597.03 g/mol, XLogP of 11.66, 17 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-N,2,2,4,4,6-hexamethyl-N-[3,3,5-trimethyl-5-[5-methylidene-4-(3-methylpentan-3-yl)pyrazin-2-yl]-2-(propan-2-ylideneamino)hex-1-enyl]octan-1-amine is sourced from PubChem (CID 123798797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).