16-(3-methylbutyl)-8,16-diazadispiro[5.2.59.26]hexadecane

C19H36N2 — CID 64877449

IUPAC16-(3-methylbutyl)-8,16-diazadispiro[5.2.59.26]hexadecane
SMILESCC(C)CCN1CC2(CCCCC2)NCC12CCCCC2
InChIInChI=1S/C19H36N2/c1-17(2)9-14-21-16-18(10-5-3-6-11-18)20-15-19(21)12-7-4-8-13-19/h17,20H,3-16H2,1-2H3
InChIKeyMLZCBPGBRVPGPV-UHFFFAOYSA-N
MW292.51 g/mol
LogP4.34
Rot. Bonds3

About 16-(3-methylbutyl)-8,16-diazadispiro[5.2.59.26]hexadecane

16-(3-methylbutyl)-8,16-diazadispiro[5.2.59.26]hexadecane (PubChem CID 64877449) has the molecular formula C19H36N2 and a molecular weight of 292.51 g/mol. Its IUPAC name is 16-(3-methylbutyl)-8,16-diazadispiro[5.2.59.26]hexadecane.

Molecular Properties

Compound Name16-(3-methylbutyl)-8,16-diazadispiro[5.2.59.26]hexadecane
PubChem CID64877449
Molecular FormulaC19H36N2
Molecular Weight292.51 g/mol
Exact Mass292.29
IUPAC Name16-(3-methylbutyl)-8,16-diazadispiro[5.2.59.26]hexadecane
SMILESCC(C)CCN1CC2(CCCCC2)NCC12CCCCC2
InChIInChI=1S/C19H36N2/c1-17(2)9-14-21-16-18(10-5-3-6-11-18)20-15-19(21)12-7-4-8-13-19/h17,20H,3-16H2,1-2H3
InChIKeyMLZCBPGBRVPGPV-UHFFFAOYSA-N
XLogP4.34
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.51
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 16-(3-methylbutyl)-8,16-diazadispiro[5.2.59.26]hexadecane?
The IUPAC name of 16-(3-methylbutyl)-8,16-diazadispiro[5.2.59.26]hexadecane (CID 64877449) is 16-(3-methylbutyl)-8,16-diazadispiro[5.2.59.26]hexadecane.
What is the SMILES notation for 16-(3-methylbutyl)-8,16-diazadispiro[5.2.59.26]hexadecane?
The canonical SMILES for 16-(3-methylbutyl)-8,16-diazadispiro[5.2.59.26]hexadecane is CC(C)CCN1CC2(CCCCC2)NCC12CCCCC2.
What is the InChIKey of 16-(3-methylbutyl)-8,16-diazadispiro[5.2.59.26]hexadecane?
The InChIKey is MLZCBPGBRVPGPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H36N2/c1-17(2)9-14-21-16-18(10-5-3-6-11-18)20-15-19(21)12-7-4-8-13-19/h17,20H,3-16H2,1-2H3.
What are the key properties of 16-(3-methylbutyl)-8,16-diazadispiro[5.2.59.26]hexadecane?
16-(3-methylbutyl)-8,16-diazadispiro[5.2.59.26]hexadecane has a molecular weight of 292.51 g/mol, XLogP of 4.34, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 16-(3-methylbutyl)-8,16-diazadispiro[5.2.59.26]hexadecane is sourced from PubChem (CID 64877449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).