(2E)-N,N,5,6,7-pentamethyl-2-[(E)-prop-1-enyl]-4,5-dihydroazocin-8-amine

C15H24N2 — CID 91425885

IUPAC(2E)-N,N,5,6,7-pentamethyl-2-[(E)-prop-1-enyl]-4,5-dihydroazocin-8-amine
SMILESC/C=C/C1=C/CC(C)C(C)=C(C)\C(N(C)C)=N/1
InChIInChI=1S/C15H24N2/c1-7-8-14-10-9-11(2)12(3)13(4)15(16-14)17(5)6/h7-8,10-11H,9H2,1-6H3/b8-7+,13-12?,14-10-,16-15+
InChIKeyGVCBSOYQQZWXJG-LKGRESNTSA-N
MW232.37 g/mol
LogP3.78
Rot. Bonds1

About (2E)-N,N,5,6,7-pentamethyl-2-[(E)-prop-1-enyl]-4,5-dihydroazocin-8-amine

(2E)-N,N,5,6,7-pentamethyl-2-[(E)-prop-1-enyl]-4,5-dihydroazocin-8-amine (PubChem CID 91425885) has the molecular formula C15H24N2 and a molecular weight of 232.37 g/mol. Its IUPAC name is (2E)-N,N,5,6,7-pentamethyl-2-[(E)-prop-1-enyl]-4,5-dihydroazocin-8-amine.

Molecular Properties

Compound Name(2E)-N,N,5,6,7-pentamethyl-2-[(E)-prop-1-enyl]-4,5-dihydroazocin-8-amine
PubChem CID91425885
Molecular FormulaC15H24N2
Molecular Weight232.37 g/mol
Exact Mass232.19
IUPAC Name(2E)-N,N,5,6,7-pentamethyl-2-[(E)-prop-1-enyl]-4,5-dihydroazocin-8-amine
SMILESC/C=C/C1=C/CC(C)C(C)=C(C)\C(N(C)C)=N/1
InChIInChI=1S/C15H24N2/c1-7-8-14-10-9-11(2)12(3)13(4)15(16-14)17(5)6/h7-8,10-11H,9H2,1-6H3/b8-7+,13-12?,14-10-,16-15+
InChIKeyGVCBSOYQQZWXJG-LKGRESNTSA-N
XLogP3.78
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.37
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (2E)-N,N,5,6,7-pentamethyl-2-[(E)-prop-1-enyl]-4,5-dihydroazocin-8-amine with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of (2E)-N,N,5,6,7-pentamethyl-2-[(E)-prop-1-enyl]-4,5-dihydroazocin-8-amine?
The IUPAC name of (2E)-N,N,5,6,7-pentamethyl-2-[(E)-prop-1-enyl]-4,5-dihydroazocin-8-amine (CID 91425885) is (2E)-N,N,5,6,7-pentamethyl-2-[(E)-prop-1-enyl]-4,5-dihydroazocin-8-amine.
What is the SMILES notation for (2E)-N,N,5,6,7-pentamethyl-2-[(E)-prop-1-enyl]-4,5-dihydroazocin-8-amine?
The canonical SMILES for (2E)-N,N,5,6,7-pentamethyl-2-[(E)-prop-1-enyl]-4,5-dihydroazocin-8-amine is C/C=C/C1=C/CC(C)C(C)=C(C)\C(N(C)C)=N/1.
What is the InChIKey of (2E)-N,N,5,6,7-pentamethyl-2-[(E)-prop-1-enyl]-4,5-dihydroazocin-8-amine?
The InChIKey is GVCBSOYQQZWXJG-LKGRESNTSA-N. The full InChI is InChI=1S/C15H24N2/c1-7-8-14-10-9-11(2)12(3)13(4)15(16-14)17(5)6/h7-8,10-11H,9H2,1-6H3/b8-7+,13-12?,14-10-,16-15+.
What are the key properties of (2E)-N,N,5,6,7-pentamethyl-2-[(E)-prop-1-enyl]-4,5-dihydroazocin-8-amine?
(2E)-N,N,5,6,7-pentamethyl-2-[(E)-prop-1-enyl]-4,5-dihydroazocin-8-amine has a molecular weight of 232.37 g/mol, XLogP of 3.78, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-N,N,5,6,7-pentamethyl-2-[(E)-prop-1-enyl]-4,5-dihydroazocin-8-amine is sourced from PubChem (CID 91425885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).