N-propan-2-yl-N'-(1-propan-2-ylcyclohexyl)methanediimine

C13H24N2 — CID 87200204

IUPACN-propan-2-yl-N'-(1-propan-2-ylcyclohexyl)methanediimine
SMILESCC(C)N=C=NC1(C(C)C)CCCCC1
InChIInChI=1S/C13H24N2/c1-11(2)13(8-6-5-7-9-13)15-10-14-12(3)4/h11-12H,5-9H2,1-4H3
InChIKeyYIUAFFBAPAPBBB-UHFFFAOYSA-N
MW208.35 g/mol
LogP3.93
Rot. Bonds3

About N-propan-2-yl-N'-(1-propan-2-ylcyclohexyl)methanediimine

N-propan-2-yl-N'-(1-propan-2-ylcyclohexyl)methanediimine (PubChem CID 87200204) has the molecular formula C13H24N2 and a molecular weight of 208.35 g/mol. Its IUPAC name is N-propan-2-yl-N'-(1-propan-2-ylcyclohexyl)methanediimine.

Molecular Properties

Compound NameN-propan-2-yl-N'-(1-propan-2-ylcyclohexyl)methanediimine
PubChem CID87200204
Molecular FormulaC13H24N2
Molecular Weight208.35 g/mol
Exact Mass208.19
IUPAC NameN-propan-2-yl-N'-(1-propan-2-ylcyclohexyl)methanediimine
SMILESCC(C)N=C=NC1(C(C)C)CCCCC1
InChIInChI=1S/C13H24N2/c1-11(2)13(8-6-5-7-9-13)15-10-14-12(3)4/h11-12H,5-9H2,1-4H3
InChIKeyYIUAFFBAPAPBBB-UHFFFAOYSA-N
XLogP3.93
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.35
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-N'-(1-propan-2-ylcyclohexyl)methanediimine?
The IUPAC name of N-propan-2-yl-N'-(1-propan-2-ylcyclohexyl)methanediimine (CID 87200204) is N-propan-2-yl-N'-(1-propan-2-ylcyclohexyl)methanediimine.
What is the SMILES notation for N-propan-2-yl-N'-(1-propan-2-ylcyclohexyl)methanediimine?
The canonical SMILES for N-propan-2-yl-N'-(1-propan-2-ylcyclohexyl)methanediimine is CC(C)N=C=NC1(C(C)C)CCCCC1.
What is the InChIKey of N-propan-2-yl-N'-(1-propan-2-ylcyclohexyl)methanediimine?
The InChIKey is YIUAFFBAPAPBBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2/c1-11(2)13(8-6-5-7-9-13)15-10-14-12(3)4/h11-12H,5-9H2,1-4H3.
What are the key properties of N-propan-2-yl-N'-(1-propan-2-ylcyclohexyl)methanediimine?
N-propan-2-yl-N'-(1-propan-2-ylcyclohexyl)methanediimine has a molecular weight of 208.35 g/mol, XLogP of 3.93, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-N'-(1-propan-2-ylcyclohexyl)methanediimine is sourced from PubChem (CID 87200204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).