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

C17H20N2 — CID 727030

IUPACspiro[1,3-dihydroperimidine-2,1'-cycloheptane]
SMILESc1cc2c3c(cccc3c1)NC1(CCCCCC1)N2
InChIInChI=1S/C17H20N2/c1-2-4-12-17(11-3-1)18-14-9-5-7-13-8-6-10-15(19-17)16(13)14/h5-10,18-19H,1-4,11-12H2
InChIKeyDHXWVWPVLLJSRG-UHFFFAOYSA-N
MW252.36 g/mol
LogP4.73
Rot. Bonds

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

spiro[1,3-dihydroperimidine-2,1'-cycloheptane] (PubChem CID 727030) has the molecular formula C17H20N2 and a molecular weight of 252.36 g/mol. Its IUPAC name is spiro[1,3-dihydroperimidine-2,1'-cycloheptane].

Molecular Properties

Compound Namespiro[1,3-dihydroperimidine-2,1'-cycloheptane]
PubChem CID727030
Molecular FormulaC17H20N2
Molecular Weight252.36 g/mol
Exact Mass252.16
IUPAC Namespiro[1,3-dihydroperimidine-2,1'-cycloheptane]
SMILESc1cc2c3c(cccc3c1)NC1(CCCCCC1)N2
InChIInChI=1S/C17H20N2/c1-2-4-12-17(11-3-1)18-14-9-5-7-13-8-6-10-15(19-17)16(13)14/h5-10,18-19H,1-4,11-12H2
InChIKeyDHXWVWPVLLJSRG-UHFFFAOYSA-N
XLogP4.73
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 54.73
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'-cycloheptane]?
The IUPAC name of spiro[1,3-dihydroperimidine-2,1'-cycloheptane] (CID 727030) is spiro[1,3-dihydroperimidine-2,1'-cycloheptane].
What is the SMILES notation for spiro[1,3-dihydroperimidine-2,1'-cycloheptane]?
The canonical SMILES for spiro[1,3-dihydroperimidine-2,1'-cycloheptane] is c1cc2c3c(cccc3c1)NC1(CCCCCC1)N2.
What is the InChIKey of spiro[1,3-dihydroperimidine-2,1'-cycloheptane]?
The InChIKey is DHXWVWPVLLJSRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2/c1-2-4-12-17(11-3-1)18-14-9-5-7-13-8-6-10-15(19-17)16(13)14/h5-10,18-19H,1-4,11-12H2.
What are the key properties of spiro[1,3-dihydroperimidine-2,1'-cycloheptane]?
spiro[1,3-dihydroperimidine-2,1'-cycloheptane] has a molecular weight of 252.36 g/mol, XLogP of 4.73, 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'-cycloheptane] is sourced from PubChem (CID 727030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).