8-cyclopropyl-6-[(4-methylphenyl)methyl]-6,9-diazaspiro[4.5]decane

C19H28N2 — CID 64859965

IUPAC8-cyclopropyl-6-[(4-methylphenyl)methyl]-6,9-diazaspiro[4.5]decane
SMILESCc1ccc(CN2CC(C3CC3)NCC23CCCC3)cc1
InChIInChI=1S/C19H28N2/c1-15-4-6-16(7-5-15)12-21-13-18(17-8-9-17)20-14-19(21)10-2-3-11-19/h4-7,17-18,20H,2-3,8-14H2,1H3
InChIKeyPIIZVRFMOYRUCV-UHFFFAOYSA-N
MW284.45 g/mol
LogP3.49
Rot. Bonds3

About 8-cyclopropyl-6-[(4-methylphenyl)methyl]-6,9-diazaspiro[4.5]decane

8-cyclopropyl-6-[(4-methylphenyl)methyl]-6,9-diazaspiro[4.5]decane (PubChem CID 64859965) has the molecular formula C19H28N2 and a molecular weight of 284.45 g/mol. Its IUPAC name is 8-cyclopropyl-6-[(4-methylphenyl)methyl]-6,9-diazaspiro[4.5]decane.

Molecular Properties

Compound Name8-cyclopropyl-6-[(4-methylphenyl)methyl]-6,9-diazaspiro[4.5]decane
PubChem CID64859965
Molecular FormulaC19H28N2
Molecular Weight284.45 g/mol
Exact Mass284.23
IUPAC Name8-cyclopropyl-6-[(4-methylphenyl)methyl]-6,9-diazaspiro[4.5]decane
SMILESCc1ccc(CN2CC(C3CC3)NCC23CCCC3)cc1
InChIInChI=1S/C19H28N2/c1-15-4-6-16(7-5-15)12-21-13-18(17-8-9-17)20-14-19(21)10-2-3-11-19/h4-7,17-18,20H,2-3,8-14H2,1H3
InChIKeyPIIZVRFMOYRUCV-UHFFFAOYSA-N
XLogP3.49
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.45
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-cyclopropyl-6-[(4-methylphenyl)methyl]-6,9-diazaspiro[4.5]decane?
The IUPAC name of 8-cyclopropyl-6-[(4-methylphenyl)methyl]-6,9-diazaspiro[4.5]decane (CID 64859965) is 8-cyclopropyl-6-[(4-methylphenyl)methyl]-6,9-diazaspiro[4.5]decane.
What is the SMILES notation for 8-cyclopropyl-6-[(4-methylphenyl)methyl]-6,9-diazaspiro[4.5]decane?
The canonical SMILES for 8-cyclopropyl-6-[(4-methylphenyl)methyl]-6,9-diazaspiro[4.5]decane is Cc1ccc(CN2CC(C3CC3)NCC23CCCC3)cc1.
What is the InChIKey of 8-cyclopropyl-6-[(4-methylphenyl)methyl]-6,9-diazaspiro[4.5]decane?
The InChIKey is PIIZVRFMOYRUCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2/c1-15-4-6-16(7-5-15)12-21-13-18(17-8-9-17)20-14-19(21)10-2-3-11-19/h4-7,17-18,20H,2-3,8-14H2,1H3.
What are the key properties of 8-cyclopropyl-6-[(4-methylphenyl)methyl]-6,9-diazaspiro[4.5]decane?
8-cyclopropyl-6-[(4-methylphenyl)methyl]-6,9-diazaspiro[4.5]decane has a molecular weight of 284.45 g/mol, XLogP of 3.49, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-cyclopropyl-6-[(4-methylphenyl)methyl]-6,9-diazaspiro[4.5]decane is sourced from PubChem (CID 64859965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).