9-heptyl-8-propyl-6,9-diazaspiro[4.5]decane

C18H36N2 — CID 64878326

IUPAC9-heptyl-8-propyl-6,9-diazaspiro[4.5]decane
SMILESCCCCCCCN1CC2(CCCC2)NCC1CCC
InChIInChI=1S/C18H36N2/c1-3-5-6-7-10-14-20-16-18(12-8-9-13-18)19-15-17(20)11-4-2/h17,19H,3-16H2,1-2H3
InChIKeyGNJBHWABNGKRLH-UHFFFAOYSA-N
MW280.50 g/mol
LogP4.34
Rot. Bonds8

About 9-heptyl-8-propyl-6,9-diazaspiro[4.5]decane

9-heptyl-8-propyl-6,9-diazaspiro[4.5]decane (PubChem CID 64878326) has the molecular formula C18H36N2 and a molecular weight of 280.50 g/mol. Its IUPAC name is 9-heptyl-8-propyl-6,9-diazaspiro[4.5]decane.

Molecular Properties

Compound Name9-heptyl-8-propyl-6,9-diazaspiro[4.5]decane
PubChem CID64878326
Molecular FormulaC18H36N2
Molecular Weight280.50 g/mol
Exact Mass280.29
IUPAC Name9-heptyl-8-propyl-6,9-diazaspiro[4.5]decane
SMILESCCCCCCCN1CC2(CCCC2)NCC1CCC
InChIInChI=1S/C18H36N2/c1-3-5-6-7-10-14-20-16-18(12-8-9-13-18)19-15-17(20)11-4-2/h17,19H,3-16H2,1-2H3
InChIKeyGNJBHWABNGKRLH-UHFFFAOYSA-N
XLogP4.34
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.50
LogP ≤ 54.34
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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Related Compounds

8-ethyl-9-hexyl-6,9-diazaspiro[4.5]decane
CID 64878514
4-ethyl-3-propyl-1,4-diazaspiro[5.5]undecane
CID 64877421
8-butan-2-yl-9-hexyl-6,9-diazaspiro[4.5]decane
CID 64875646
4-prop-2-enyl-3-propyl-1,4-diazaspiro[5.5]undecane
CID 64878190
8-ethyl-9-(3-propoxypropyl)-6,9-diazaspiro[4.5]decane
CID 82947690
4-(3-ethyl-1,4-diazaspiro[5.5]undecan-4-yl)-N,N-dimethylbutan-1-amine
CID 64945821
9-benzyl-8-propyl-6,9-diazaspiro[4.5]decane
CID 64877176
8-ethyl-9-[3-(2-methoxyethoxy)propyl]-6,9-diazaspiro[4.5]decane
CID 103414318
4-[(1-methylpyrazol-4-yl)methyl]-3-propyl-1,4-diazaspiro[5.5]undecane
CID 64876848
4-[(1-methyltriazol-4-yl)methyl]-3-propyl-1,4-diazaspiro[5.5]undecane
CID 107055925
3-propyl-4-(pyrimidin-2-ylmethyl)-1,4-diazaspiro[5.5]undecane
CID 64878189
9-(2-cyclohexylethyl)-8-ethyl-6,9-diazaspiro[4.5]decane
CID 64934961

Frequently Asked Questions

What is the IUPAC name of 9-heptyl-8-propyl-6,9-diazaspiro[4.5]decane?
The IUPAC name of 9-heptyl-8-propyl-6,9-diazaspiro[4.5]decane (CID 64878326) is 9-heptyl-8-propyl-6,9-diazaspiro[4.5]decane.
What is the SMILES notation for 9-heptyl-8-propyl-6,9-diazaspiro[4.5]decane?
The canonical SMILES for 9-heptyl-8-propyl-6,9-diazaspiro[4.5]decane is CCCCCCCN1CC2(CCCC2)NCC1CCC.
What is the InChIKey of 9-heptyl-8-propyl-6,9-diazaspiro[4.5]decane?
The InChIKey is GNJBHWABNGKRLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36N2/c1-3-5-6-7-10-14-20-16-18(12-8-9-13-18)19-15-17(20)11-4-2/h17,19H,3-16H2,1-2H3.
What are the key properties of 9-heptyl-8-propyl-6,9-diazaspiro[4.5]decane?
9-heptyl-8-propyl-6,9-diazaspiro[4.5]decane has a molecular weight of 280.50 g/mol, XLogP of 4.34, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-heptyl-8-propyl-6,9-diazaspiro[4.5]decane is sourced from PubChem (CID 64878326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).