spiro[1,3-dihydroperimidine-2,1'-cyclohexane]

C16H18N2 — CID 797247

IUPACspiro[1,3-dihydroperimidine-2,1'-cyclohexane]
SMILESc1cc2c3c(cccc3c1)NC1(CCCCC1)N2
InChIInChI=1S/C16H18N2/c1-2-10-16(11-3-1)17-13-8-4-6-12-7-5-9-14(18-16)15(12)13/h4-9,17-18H,1-3,10-11H2
InChIKeyKMAVVPHOTMNZLL-UHFFFAOYSA-N
MW238.33 g/mol
LogP4.34
Rot. Bonds

About spiro[1,3-dihydroperimidine-2,1'-cyclohexane]

spiro[1,3-dihydroperimidine-2,1'-cyclohexane] (PubChem CID 797247) has the molecular formula C16H18N2 and a molecular weight of 238.33 g/mol. Its IUPAC name is spiro[1,3-dihydroperimidine-2,1'-cyclohexane].

Molecular Properties

Compound Namespiro[1,3-dihydroperimidine-2,1'-cyclohexane]
PubChem CID797247
Molecular FormulaC16H18N2
Molecular Weight238.33 g/mol
Exact Mass238.15
IUPAC Namespiro[1,3-dihydroperimidine-2,1'-cyclohexane]
SMILESc1cc2c3c(cccc3c1)NC1(CCCCC1)N2
InChIInChI=1S/C16H18N2/c1-2-10-16(11-3-1)17-13-8-4-6-12-7-5-9-14(18-16)15(12)13/h4-9,17-18H,1-3,10-11H2
InChIKeyKMAVVPHOTMNZLL-UHFFFAOYSA-N
XLogP4.34
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 54.34
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 spiro[1,3-dihydroperimidine-2,1'-cyclohexane]?
The IUPAC name of spiro[1,3-dihydroperimidine-2,1'-cyclohexane] (CID 797247) is spiro[1,3-dihydroperimidine-2,1'-cyclohexane].
What is the SMILES notation for spiro[1,3-dihydroperimidine-2,1'-cyclohexane]?
The canonical SMILES for spiro[1,3-dihydroperimidine-2,1'-cyclohexane] is c1cc2c3c(cccc3c1)NC1(CCCCC1)N2.
What is the InChIKey of spiro[1,3-dihydroperimidine-2,1'-cyclohexane]?
The InChIKey is KMAVVPHOTMNZLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2/c1-2-10-16(11-3-1)17-13-8-4-6-12-7-5-9-14(18-16)15(12)13/h4-9,17-18H,1-3,10-11H2.
What are the key properties of spiro[1,3-dihydroperimidine-2,1'-cyclohexane]?
spiro[1,3-dihydroperimidine-2,1'-cyclohexane] has a molecular weight of 238.33 g/mol, XLogP of 4.34, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for spiro[1,3-dihydroperimidine-2,1'-cyclohexane] is sourced from PubChem (CID 797247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).