1-hexyl-3-(2-methylpropyl)-1,4-diazaspiro[5.5]undecane

C19H38N2 — CID 64850121

IUPAC1-hexyl-3-(2-methylpropyl)-1,4-diazaspiro[5.5]undecane
SMILESCCCCCCN1CC(CC(C)C)NCC12CCCCC2
InChIInChI=1S/C19H38N2/c1-4-5-6-10-13-21-15-18(14-17(2)3)20-16-19(21)11-8-7-9-12-19/h17-18,20H,4-16H2,1-3H3
InChIKeyRBGJSCCWTJPSIJ-UHFFFAOYSA-N
MW294.53 g/mol
LogP4.59
Rot. Bonds7

About 1-hexyl-3-(2-methylpropyl)-1,4-diazaspiro[5.5]undecane

1-hexyl-3-(2-methylpropyl)-1,4-diazaspiro[5.5]undecane (PubChem CID 64850121) has the molecular formula C19H38N2 and a molecular weight of 294.53 g/mol. Its IUPAC name is 1-hexyl-3-(2-methylpropyl)-1,4-diazaspiro[5.5]undecane.

Molecular Properties

Compound Name1-hexyl-3-(2-methylpropyl)-1,4-diazaspiro[5.5]undecane
PubChem CID64850121
Molecular FormulaC19H38N2
Molecular Weight294.53 g/mol
Exact Mass294.30
IUPAC Name1-hexyl-3-(2-methylpropyl)-1,4-diazaspiro[5.5]undecane
SMILESCCCCCCN1CC(CC(C)C)NCC12CCCCC2
InChIInChI=1S/C19H38N2/c1-4-5-6-10-13-21-15-18(14-17(2)3)20-16-19(21)11-8-7-9-12-19/h17-18,20H,4-16H2,1-3H3
InChIKeyRBGJSCCWTJPSIJ-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-(2-methylpropyl)-6-pentyl-6,9-diazaspiro[4.5]decane
CID 64847996
1-butyl-3-(2-methylpropyl)-1,4-diazaspiro[5.5]undecane
CID 64848961
3-(2-methylpropyl)-1-propyl-1,4-diazaspiro[5.5]undecane
CID 64849927
3-ethyl-1-octyl-1,4-diazaspiro[5.5]undecane
CID 64843543
3-butan-2-yl-1-hexyl-1,4-diazaspiro[5.5]undecane
CID 64848074
6-butyl-8-propyl-6,9-diazaspiro[4.5]decane
CID 64838046
2-cyclopropyl-1-hexyl-2-methyl-5-(2-methylpropyl)piperazine
CID 64849739
6-butan-2-yl-8-(2-methylpropyl)-6,9-diazaspiro[4.5]decane
CID 79445456
3-(2-methylpropyl)-1-(oxolan-2-ylmethyl)-1,4-diazaspiro[5.5]undecane
CID 64849737
8-ethyl-6-(3-fluoropropyl)-6,9-diazaspiro[4.5]decane
CID 81114428
6-benzyl-8-(2-methylpropyl)-6,9-diazaspiro[4.5]decane
CID 64848189
1-(2-fluoroethyl)-3-propyl-1,4-diazaspiro[5.5]undecane
CID 80698291

Frequently Asked Questions

What is the IUPAC name of 1-hexyl-3-(2-methylpropyl)-1,4-diazaspiro[5.5]undecane?
The IUPAC name of 1-hexyl-3-(2-methylpropyl)-1,4-diazaspiro[5.5]undecane (CID 64850121) is 1-hexyl-3-(2-methylpropyl)-1,4-diazaspiro[5.5]undecane.
What is the SMILES notation for 1-hexyl-3-(2-methylpropyl)-1,4-diazaspiro[5.5]undecane?
The canonical SMILES for 1-hexyl-3-(2-methylpropyl)-1,4-diazaspiro[5.5]undecane is CCCCCCN1CC(CC(C)C)NCC12CCCCC2.
What is the InChIKey of 1-hexyl-3-(2-methylpropyl)-1,4-diazaspiro[5.5]undecane?
The InChIKey is RBGJSCCWTJPSIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H38N2/c1-4-5-6-10-13-21-15-18(14-17(2)3)20-16-19(21)11-8-7-9-12-19/h17-18,20H,4-16H2,1-3H3.
What are the key properties of 1-hexyl-3-(2-methylpropyl)-1,4-diazaspiro[5.5]undecane?
1-hexyl-3-(2-methylpropyl)-1,4-diazaspiro[5.5]undecane 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 1-hexyl-3-(2-methylpropyl)-1,4-diazaspiro[5.5]undecane is sourced from PubChem (CID 64850121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).