N,N'-bis[2-(3-prop-1-en-2-ylcyclohexyl)propan-2-yl]methanediimine

C25H42N2 — CID 155630510

IUPACN,N'-bis[2-(3-prop-1-en-2-ylcyclohexyl)propan-2-yl]methanediimine
SMILESC=C(C)C1CCCC(C(C)(C)N=C=NC(C)(C)C2CCCC(C(=C)C)C2)C1
InChIInChI=1S/C25H42N2/c1-18(2)20-11-9-13-22(15-20)24(5,6)26-17-27-25(7,8)23-14-10-12-21(16-23)19(3)4/h20-23H,1,3,9-16H2,2,4-8H3
InChIKeyRUBZHCSEVPHVGI-UHFFFAOYSA-N
MW370.63 g/mol
LogP7.48
Rot. Bonds6

About N,N'-bis[2-(3-prop-1-en-2-ylcyclohexyl)propan-2-yl]methanediimine

N,N'-bis[2-(3-prop-1-en-2-ylcyclohexyl)propan-2-yl]methanediimine (PubChem CID 155630510) has the molecular formula C25H42N2 and a molecular weight of 370.63 g/mol. Its IUPAC name is N,N'-bis[2-(3-prop-1-en-2-ylcyclohexyl)propan-2-yl]methanediimine.

Molecular Properties

Compound NameN,N'-bis[2-(3-prop-1-en-2-ylcyclohexyl)propan-2-yl]methanediimine
PubChem CID155630510
Molecular FormulaC25H42N2
Molecular Weight370.63 g/mol
Exact Mass370.33
IUPAC NameN,N'-bis[2-(3-prop-1-en-2-ylcyclohexyl)propan-2-yl]methanediimine
SMILESC=C(C)C1CCCC(C(C)(C)N=C=NC(C)(C)C2CCCC(C(=C)C)C2)C1
InChIInChI=1S/C25H42N2/c1-18(2)20-11-9-13-22(15-20)24(5,6)26-17-27-25(7,8)23-14-10-12-21(16-23)19(3)4/h20-23H,1,3,9-16H2,2,4-8H3
InChIKeyRUBZHCSEVPHVGI-UHFFFAOYSA-N
XLogP7.48
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.63
LogP ≤ 57.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N,N'-bis[2-(3-prop-1-en-2-ylcyclohexyl)propan-2-yl]methanediimine?
The IUPAC name of N,N'-bis[2-(3-prop-1-en-2-ylcyclohexyl)propan-2-yl]methanediimine (CID 155630510) is N,N'-bis[2-(3-prop-1-en-2-ylcyclohexyl)propan-2-yl]methanediimine.
What is the SMILES notation for N,N'-bis[2-(3-prop-1-en-2-ylcyclohexyl)propan-2-yl]methanediimine?
The canonical SMILES for N,N'-bis[2-(3-prop-1-en-2-ylcyclohexyl)propan-2-yl]methanediimine is C=C(C)C1CCCC(C(C)(C)N=C=NC(C)(C)C2CCCC(C(=C)C)C2)C1.
What is the InChIKey of N,N'-bis[2-(3-prop-1-en-2-ylcyclohexyl)propan-2-yl]methanediimine?
The InChIKey is RUBZHCSEVPHVGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H42N2/c1-18(2)20-11-9-13-22(15-20)24(5,6)26-17-27-25(7,8)23-14-10-12-21(16-23)19(3)4/h20-23H,1,3,9-16H2,2,4-8H3.
What are the key properties of N,N'-bis[2-(3-prop-1-en-2-ylcyclohexyl)propan-2-yl]methanediimine?
N,N'-bis[2-(3-prop-1-en-2-ylcyclohexyl)propan-2-yl]methanediimine has a molecular weight of 370.63 g/mol, XLogP of 7.48, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis[2-(3-prop-1-en-2-ylcyclohexyl)propan-2-yl]methanediimine is sourced from PubChem (CID 155630510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).