6-methyl-4'-propylspiro[1,3-dihydroperimidine-2,1'-cyclohexane]

C20H26N2 — CID 142944281

IUPAC6-methyl-4'-propylspiro[1,3-dihydroperimidine-2,1'-cyclohexane]
SMILESCCCC1CCC2(CC1)Nc1cccc3c(C)ccc(c13)N2
InChIInChI=1S/C20H26N2/c1-3-5-15-10-12-20(13-11-15)21-17-7-4-6-16-14(2)8-9-18(22-20)19(16)17/h4,6-9,15,21-22H,3,5,10-13H2,1-2H3
InChIKeyIUCMWCBDYPMHBE-UHFFFAOYSA-N
MW294.44 g/mol
LogP5.67
Rot. Bonds2

About 6-methyl-4'-propylspiro[1,3-dihydroperimidine-2,1'-cyclohexane]

6-methyl-4'-propylspiro[1,3-dihydroperimidine-2,1'-cyclohexane] (PubChem CID 142944281) has the molecular formula C20H26N2 and a molecular weight of 294.44 g/mol. Its IUPAC name is 6-methyl-4'-propylspiro[1,3-dihydroperimidine-2,1'-cyclohexane].

Molecular Properties

Compound Name6-methyl-4'-propylspiro[1,3-dihydroperimidine-2,1'-cyclohexane]
PubChem CID142944281
Molecular FormulaC20H26N2
Molecular Weight294.44 g/mol
Exact Mass294.21
IUPAC Name6-methyl-4'-propylspiro[1,3-dihydroperimidine-2,1'-cyclohexane]
SMILESCCCC1CCC2(CC1)Nc1cccc3c(C)ccc(c13)N2
InChIInChI=1S/C20H26N2/c1-3-5-15-10-12-20(13-11-15)21-17-7-4-6-16-14(2)8-9-18(22-20)19(16)17/h4,6-9,15,21-22H,3,5,10-13H2,1-2H3
InChIKeyIUCMWCBDYPMHBE-UHFFFAOYSA-N
XLogP5.67
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500294.44
LogP ≤ 55.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'naphth_amino_B(25)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-4'-propylspiro[1,3-dihydroperimidine-2,1'-cyclohexane]?
The IUPAC name of 6-methyl-4'-propylspiro[1,3-dihydroperimidine-2,1'-cyclohexane] (CID 142944281) is 6-methyl-4'-propylspiro[1,3-dihydroperimidine-2,1'-cyclohexane].
What is the SMILES notation for 6-methyl-4'-propylspiro[1,3-dihydroperimidine-2,1'-cyclohexane]?
The canonical SMILES for 6-methyl-4'-propylspiro[1,3-dihydroperimidine-2,1'-cyclohexane] is CCCC1CCC2(CC1)Nc1cccc3c(C)ccc(c13)N2.
What is the InChIKey of 6-methyl-4'-propylspiro[1,3-dihydroperimidine-2,1'-cyclohexane]?
The InChIKey is IUCMWCBDYPMHBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2/c1-3-5-15-10-12-20(13-11-15)21-17-7-4-6-16-14(2)8-9-18(22-20)19(16)17/h4,6-9,15,21-22H,3,5,10-13H2,1-2H3.
What are the key properties of 6-methyl-4'-propylspiro[1,3-dihydroperimidine-2,1'-cyclohexane]?
6-methyl-4'-propylspiro[1,3-dihydroperimidine-2,1'-cyclohexane] has a molecular weight of 294.44 g/mol, XLogP of 5.67, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-4'-propylspiro[1,3-dihydroperimidine-2,1'-cyclohexane] is sourced from PubChem (CID 142944281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).