10-hexyl-9-methyl-6,10-diazaspiro[4.6]undecane

C16H32N2 — CID 64870016

IUPAC10-hexyl-9-methyl-6,10-diazaspiro[4.6]undecane
SMILESCCCCCCN1CC2(CCCC2)NCCC1C
InChIInChI=1S/C16H32N2/c1-3-4-5-8-13-18-14-16(10-6-7-11-16)17-12-9-15(18)2/h15,17H,3-14H2,1-2H3
InChIKeyLBAVKUFFCPYTGE-UHFFFAOYSA-N
MW252.45 g/mol
LogP3.56
Rot. Bonds5

About 10-hexyl-9-methyl-6,10-diazaspiro[4.6]undecane

10-hexyl-9-methyl-6,10-diazaspiro[4.6]undecane (PubChem CID 64870016) has the molecular formula C16H32N2 and a molecular weight of 252.45 g/mol. Its IUPAC name is 10-hexyl-9-methyl-6,10-diazaspiro[4.6]undecane.

Molecular Properties

Compound Name10-hexyl-9-methyl-6,10-diazaspiro[4.6]undecane
PubChem CID64870016
Molecular FormulaC16H32N2
Molecular Weight252.45 g/mol
Exact Mass252.26
IUPAC Name10-hexyl-9-methyl-6,10-diazaspiro[4.6]undecane
SMILESCCCCCCN1CC2(CCCC2)NCCC1C
InChIInChI=1S/C16H32N2/c1-3-4-5-8-13-18-14-16(10-6-7-11-16)17-12-9-15(18)2/h15,17H,3-14H2,1-2H3
InChIKeyLBAVKUFFCPYTGE-UHFFFAOYSA-N
XLogP3.56
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.45
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 10-hexyl-9-methyl-6,10-diazaspiro[4.6]undecane?
The IUPAC name of 10-hexyl-9-methyl-6,10-diazaspiro[4.6]undecane (CID 64870016) is 10-hexyl-9-methyl-6,10-diazaspiro[4.6]undecane.
What is the SMILES notation for 10-hexyl-9-methyl-6,10-diazaspiro[4.6]undecane?
The canonical SMILES for 10-hexyl-9-methyl-6,10-diazaspiro[4.6]undecane is CCCCCCN1CC2(CCCC2)NCCC1C.
What is the InChIKey of 10-hexyl-9-methyl-6,10-diazaspiro[4.6]undecane?
The InChIKey is LBAVKUFFCPYTGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2/c1-3-4-5-8-13-18-14-16(10-6-7-11-16)17-12-9-15(18)2/h15,17H,3-14H2,1-2H3.
What are the key properties of 10-hexyl-9-methyl-6,10-diazaspiro[4.6]undecane?
10-hexyl-9-methyl-6,10-diazaspiro[4.6]undecane has a molecular weight of 252.45 g/mol, XLogP of 3.56, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10-hexyl-9-methyl-6,10-diazaspiro[4.6]undecane is sourced from PubChem (CID 64870016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).