2,5,5-trimethyl-N-[7-(5-methyl-2-methylideneimidazolidin-4-yl)hept-1-en-2-yl]oct-7-yn-2-amine

C23H41N3 — CID 164907349

IUPAC2,5,5-trimethyl-N-[7-(5-methyl-2-methylideneimidazolidin-4-yl)hept-1-en-2-yl]oct-7-yn-2-amine
SMILESC#CCC(C)(C)CCC(C)(C)NC(=C)CCCCCC1NC(=C)NC1C
InChIInChI=1S/C23H41N3/c1-9-15-22(5,6)16-17-23(7,8)26-18(2)13-11-10-12-14-21-19(3)24-20(4)25-21/h1,19,21,24-26H,2,4,10-17H2,3,5-8H3
InChIKeyZYBAKMMCCWURNZ-UHFFFAOYSA-N
MW359.60 g/mol
LogP5.07
Rot. Bonds12

About 2,5,5-trimethyl-N-[7-(5-methyl-2-methylideneimidazolidin-4-yl)hept-1-en-2-yl]oct-7-yn-2-amine

2,5,5-trimethyl-N-[7-(5-methyl-2-methylideneimidazolidin-4-yl)hept-1-en-2-yl]oct-7-yn-2-amine (PubChem CID 164907349) has the molecular formula C23H41N3 and a molecular weight of 359.60 g/mol. Its IUPAC name is 2,5,5-trimethyl-N-[7-(5-methyl-2-methylideneimidazolidin-4-yl)hept-1-en-2-yl]oct-7-yn-2-amine.

Molecular Properties

Compound Name2,5,5-trimethyl-N-[7-(5-methyl-2-methylideneimidazolidin-4-yl)hept-1-en-2-yl]oct-7-yn-2-amine
PubChem CID164907349
Molecular FormulaC23H41N3
Molecular Weight359.60 g/mol
Exact Mass359.33
IUPAC Name2,5,5-trimethyl-N-[7-(5-methyl-2-methylideneimidazolidin-4-yl)hept-1-en-2-yl]oct-7-yn-2-amine
SMILESC#CCC(C)(C)CCC(C)(C)NC(=C)CCCCCC1NC(=C)NC1C
InChIInChI=1S/C23H41N3/c1-9-15-22(5,6)16-17-23(7,8)26-18(2)13-11-10-12-14-21-19(3)24-20(4)25-21/h1,19,21,24-26H,2,4,10-17H2,3,5-8H3
InChIKeyZYBAKMMCCWURNZ-UHFFFAOYSA-N
XLogP5.07
TPSA36.09 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.60
LogP ≤ 55.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2,5,5-trimethyl-N-[7-(5-methyl-2-methylideneimidazolidin-4-yl)hept-1-en-2-yl]oct-7-yn-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,5,5-trimethyl-N-[7-(5-methyl-2-methylideneimidazolidin-4-yl)hept-1-en-2-yl]oct-7-yn-2-amine?
The IUPAC name of 2,5,5-trimethyl-N-[7-(5-methyl-2-methylideneimidazolidin-4-yl)hept-1-en-2-yl]oct-7-yn-2-amine (CID 164907349) is 2,5,5-trimethyl-N-[7-(5-methyl-2-methylideneimidazolidin-4-yl)hept-1-en-2-yl]oct-7-yn-2-amine.
What is the SMILES notation for 2,5,5-trimethyl-N-[7-(5-methyl-2-methylideneimidazolidin-4-yl)hept-1-en-2-yl]oct-7-yn-2-amine?
The canonical SMILES for 2,5,5-trimethyl-N-[7-(5-methyl-2-methylideneimidazolidin-4-yl)hept-1-en-2-yl]oct-7-yn-2-amine is C#CCC(C)(C)CCC(C)(C)NC(=C)CCCCCC1NC(=C)NC1C.
What is the InChIKey of 2,5,5-trimethyl-N-[7-(5-methyl-2-methylideneimidazolidin-4-yl)hept-1-en-2-yl]oct-7-yn-2-amine?
The InChIKey is ZYBAKMMCCWURNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H41N3/c1-9-15-22(5,6)16-17-23(7,8)26-18(2)13-11-10-12-14-21-19(3)24-20(4)25-21/h1,19,21,24-26H,2,4,10-17H2,3,5-8H3.
What are the key properties of 2,5,5-trimethyl-N-[7-(5-methyl-2-methylideneimidazolidin-4-yl)hept-1-en-2-yl]oct-7-yn-2-amine?
2,5,5-trimethyl-N-[7-(5-methyl-2-methylideneimidazolidin-4-yl)hept-1-en-2-yl]oct-7-yn-2-amine has a molecular weight of 359.60 g/mol, XLogP of 5.07, 12 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5,5-trimethyl-N-[7-(5-methyl-2-methylideneimidazolidin-4-yl)hept-1-en-2-yl]oct-7-yn-2-amine is sourced from PubChem (CID 164907349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).