9-octan-2-yl-8-propan-2-yl-6,9-diazaspiro[4.5]decane

C19H38N2 — CID 64947217

IUPAC9-octan-2-yl-8-propan-2-yl-6,9-diazaspiro[4.5]decane
SMILESCCCCCCC(C)N1CC2(CCCC2)NCC1C(C)C
InChIInChI=1S/C19H38N2/c1-5-6-7-8-11-17(4)21-15-19(12-9-10-13-19)20-14-18(21)16(2)3/h16-18,20H,5-15H2,1-4H3
InChIKeyIVYRWNSCCCPZBF-UHFFFAOYSA-N
MW294.53 g/mol
LogP4.59
Rot. Bonds7

About 9-octan-2-yl-8-propan-2-yl-6,9-diazaspiro[4.5]decane

9-octan-2-yl-8-propan-2-yl-6,9-diazaspiro[4.5]decane (PubChem CID 64947217) has the molecular formula C19H38N2 and a molecular weight of 294.53 g/mol. Its IUPAC name is 9-octan-2-yl-8-propan-2-yl-6,9-diazaspiro[4.5]decane.

Molecular Properties

Compound Name9-octan-2-yl-8-propan-2-yl-6,9-diazaspiro[4.5]decane
PubChem CID64947217
Molecular FormulaC19H38N2
Molecular Weight294.53 g/mol
Exact Mass294.30
IUPAC Name9-octan-2-yl-8-propan-2-yl-6,9-diazaspiro[4.5]decane
SMILESCCCCCCC(C)N1CC2(CCCC2)NCC1C(C)C
InChIInChI=1S/C19H38N2/c1-5-6-7-8-11-17(4)21-15-19(12-9-10-13-19)20-14-18(21)16(2)3/h16-18,20H,5-15H2,1-4H3
InChIKeyIVYRWNSCCCPZBF-UHFFFAOYSA-N
XLogP4.59
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.53
LogP ≤ 54.59
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-octan-2-yl-6,9-diazaspiro[4.5]decane
CID 64946256
4-(5-methylhexan-2-yl)-3-propan-2-yl-1,4-diazaspiro[5.5]undecane
CID 64939492
1-heptan-2-yl-5,5-dimethyl-2-propan-2-ylpiperazine
CID 64936101
9-(1-ethoxypropan-2-yl)-8-propan-2-yl-6,9-diazaspiro[4.5]decane
CID 64947120
9-(1-methylsulfonylpropan-2-yl)-8-propan-2-yl-6,9-diazaspiro[4.5]decane
CID 64940325
8-ethyl-9-pentan-2-yl-6,9-diazaspiro[4.5]decane
CID 64930793
8-butan-2-yl-9-hexyl-6,9-diazaspiro[4.5]decane
CID 64875646
5-methyl-1-octan-2-yl-2-propan-2-ylpiperazine
CID 64936589
9-(5-methylhexyl)-8-propan-2-yl-6,9-diazaspiro[4.5]decane
CID 115327089
8-methyl-9-octan-4-yl-6,9-diazaspiro[4.5]decane
CID 106027228
9-(2-methylbutyl)-8-propan-2-yl-6,9-diazaspiro[4.5]decane
CID 64878139
9-(3-methylpentan-3-yl)-8-propan-2-yl-6,9-diazaspiro[4.5]decane
CID 106329736

Frequently Asked Questions

What is the IUPAC name of 9-octan-2-yl-8-propan-2-yl-6,9-diazaspiro[4.5]decane?
The IUPAC name of 9-octan-2-yl-8-propan-2-yl-6,9-diazaspiro[4.5]decane (CID 64947217) is 9-octan-2-yl-8-propan-2-yl-6,9-diazaspiro[4.5]decane.
What is the SMILES notation for 9-octan-2-yl-8-propan-2-yl-6,9-diazaspiro[4.5]decane?
The canonical SMILES for 9-octan-2-yl-8-propan-2-yl-6,9-diazaspiro[4.5]decane is CCCCCCC(C)N1CC2(CCCC2)NCC1C(C)C.
What is the InChIKey of 9-octan-2-yl-8-propan-2-yl-6,9-diazaspiro[4.5]decane?
The InChIKey is IVYRWNSCCCPZBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H38N2/c1-5-6-7-8-11-17(4)21-15-19(12-9-10-13-19)20-14-18(21)16(2)3/h16-18,20H,5-15H2,1-4H3.
What are the key properties of 9-octan-2-yl-8-propan-2-yl-6,9-diazaspiro[4.5]decane?
9-octan-2-yl-8-propan-2-yl-6,9-diazaspiro[4.5]decane has a molecular weight of 294.53 g/mol, XLogP of 4.59, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-octan-2-yl-8-propan-2-yl-6,9-diazaspiro[4.5]decane is sourced from PubChem (CID 64947217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).