10-[2-(3-methylphenyl)ethyl]-6,10-diazaspiro[4.6]undecane

C18H28N2 — CID 64949372

IUPAC10-[2-(3-methylphenyl)ethyl]-6,10-diazaspiro[4.6]undecane
SMILESCc1cccc(CCN2CCCNC3(CCCC3)C2)c1
InChIInChI=1S/C18H28N2/c1-16-6-4-7-17(14-16)8-13-20-12-5-11-19-18(15-20)9-2-3-10-18/h4,6-7,14,19H,2-3,5,8-13,15H2,1H3
InChIKeyNWRRZFLXSNSWBF-UHFFFAOYSA-N
MW272.44 g/mol
LogP3.15
Rot. Bonds3

About 10-[2-(3-methylphenyl)ethyl]-6,10-diazaspiro[4.6]undecane

10-[2-(3-methylphenyl)ethyl]-6,10-diazaspiro[4.6]undecane (PubChem CID 64949372) has the molecular formula C18H28N2 and a molecular weight of 272.44 g/mol. Its IUPAC name is 10-[2-(3-methylphenyl)ethyl]-6,10-diazaspiro[4.6]undecane.

Molecular Properties

Compound Name10-[2-(3-methylphenyl)ethyl]-6,10-diazaspiro[4.6]undecane
PubChem CID64949372
Molecular FormulaC18H28N2
Molecular Weight272.44 g/mol
Exact Mass272.23
IUPAC Name10-[2-(3-methylphenyl)ethyl]-6,10-diazaspiro[4.6]undecane
SMILESCc1cccc(CCN2CCCNC3(CCCC3)C2)c1
InChIInChI=1S/C18H28N2/c1-16-6-4-7-17(14-16)8-13-20-12-5-11-19-18(15-20)9-2-3-10-18/h4,6-7,14,19H,2-3,5,8-13,15H2,1H3
InChIKeyNWRRZFLXSNSWBF-UHFFFAOYSA-N
XLogP3.15
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.44
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 10-[2-(3-methylphenyl)ethyl]-6,10-diazaspiro[4.6]undecane?
The IUPAC name of 10-[2-(3-methylphenyl)ethyl]-6,10-diazaspiro[4.6]undecane (CID 64949372) is 10-[2-(3-methylphenyl)ethyl]-6,10-diazaspiro[4.6]undecane.
What is the SMILES notation for 10-[2-(3-methylphenyl)ethyl]-6,10-diazaspiro[4.6]undecane?
The canonical SMILES for 10-[2-(3-methylphenyl)ethyl]-6,10-diazaspiro[4.6]undecane is Cc1cccc(CCN2CCCNC3(CCCC3)C2)c1.
What is the InChIKey of 10-[2-(3-methylphenyl)ethyl]-6,10-diazaspiro[4.6]undecane?
The InChIKey is NWRRZFLXSNSWBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2/c1-16-6-4-7-17(14-16)8-13-20-12-5-11-19-18(15-20)9-2-3-10-18/h4,6-7,14,19H,2-3,5,8-13,15H2,1H3.
What are the key properties of 10-[2-(3-methylphenyl)ethyl]-6,10-diazaspiro[4.6]undecane?
10-[2-(3-methylphenyl)ethyl]-6,10-diazaspiro[4.6]undecane has a molecular weight of 272.44 g/mol, XLogP of 3.15, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[2-(3-methylphenyl)ethyl]-6,10-diazaspiro[4.6]undecane is sourced from PubChem (CID 64949372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).