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

C17H34N2 — CID 64848961

IUPAC1-butyl-3-(2-methylpropyl)-1,4-diazaspiro[5.5]undecane
SMILESCCCCN1CC(CC(C)C)NCC12CCCCC2
InChIInChI=1S/C17H34N2/c1-4-5-11-19-13-16(12-15(2)3)18-14-17(19)9-7-6-8-10-17/h15-16,18H,4-14H2,1-3H3
InChIKeyOIJBDRLDGSETTP-UHFFFAOYSA-N
MW266.47 g/mol
LogP3.81
Rot. Bonds5

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

1-butyl-3-(2-methylpropyl)-1,4-diazaspiro[5.5]undecane (PubChem CID 64848961) has the molecular formula C17H34N2 and a molecular weight of 266.47 g/mol. Its IUPAC name is 1-butyl-3-(2-methylpropyl)-1,4-diazaspiro[5.5]undecane.

Molecular Properties

Compound Name1-butyl-3-(2-methylpropyl)-1,4-diazaspiro[5.5]undecane
PubChem CID64848961
Molecular FormulaC17H34N2
Molecular Weight266.47 g/mol
Exact Mass266.27
IUPAC Name1-butyl-3-(2-methylpropyl)-1,4-diazaspiro[5.5]undecane
SMILESCCCCN1CC(CC(C)C)NCC12CCCCC2
InChIInChI=1S/C17H34N2/c1-4-5-11-19-13-16(12-15(2)3)18-14-17(19)9-7-6-8-10-17/h15-16,18H,4-14H2,1-3H3
InChIKeyOIJBDRLDGSETTP-UHFFFAOYSA-N
XLogP3.81
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.47
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-hexyl-3-(2-methylpropyl)-1,4-diazaspiro[5.5]undecane
CID 64850121
8-(2-methylpropyl)-6-pentyl-6,9-diazaspiro[4.5]decane
CID 64847996
3-(2-methylpropyl)-1-propyl-1,4-diazaspiro[5.5]undecane
CID 64849927
6-butyl-8-propyl-6,9-diazaspiro[4.5]decane
CID 64838046
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-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
1-butyl-2-methyl-5-(2-methylpropyl)-2-phenylpiperazine
CID 64847619

Frequently Asked Questions

What is the IUPAC name of 1-butyl-3-(2-methylpropyl)-1,4-diazaspiro[5.5]undecane?
The IUPAC name of 1-butyl-3-(2-methylpropyl)-1,4-diazaspiro[5.5]undecane (CID 64848961) is 1-butyl-3-(2-methylpropyl)-1,4-diazaspiro[5.5]undecane.
What is the SMILES notation for 1-butyl-3-(2-methylpropyl)-1,4-diazaspiro[5.5]undecane?
The canonical SMILES for 1-butyl-3-(2-methylpropyl)-1,4-diazaspiro[5.5]undecane is CCCCN1CC(CC(C)C)NCC12CCCCC2.
What is the InChIKey of 1-butyl-3-(2-methylpropyl)-1,4-diazaspiro[5.5]undecane?
The InChIKey is OIJBDRLDGSETTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2/c1-4-5-11-19-13-16(12-15(2)3)18-14-17(19)9-7-6-8-10-17/h15-16,18H,4-14H2,1-3H3.
What are the key properties of 1-butyl-3-(2-methylpropyl)-1,4-diazaspiro[5.5]undecane?
1-butyl-3-(2-methylpropyl)-1,4-diazaspiro[5.5]undecane has a molecular weight of 266.47 g/mol, XLogP of 3.81, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-3-(2-methylpropyl)-1,4-diazaspiro[5.5]undecane is sourced from PubChem (CID 64848961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).