3-(2-methylbutyl)-9-(2-methylpropyl)-3,9-diazaspiro[5.5]undecane

C18H36N2 — CID 156860444

IUPAC3-(2-methylbutyl)-9-(2-methylpropyl)-3,9-diazaspiro[5.5]undecane
SMILESCCC(C)CN1CCC2(CCN(CC(C)C)CC2)CC1
InChIInChI=1S/C18H36N2/c1-5-17(4)15-20-12-8-18(9-13-20)6-10-19(11-7-18)14-16(2)3/h16-17H,5-15H2,1-4H3
InChIKeyFJYOXFSMHRPEQX-UHFFFAOYSA-N
MW280.50 g/mol
LogP3.87
Rot. Bonds5

About 3-(2-methylbutyl)-9-(2-methylpropyl)-3,9-diazaspiro[5.5]undecane

3-(2-methylbutyl)-9-(2-methylpropyl)-3,9-diazaspiro[5.5]undecane (PubChem CID 156860444) has the molecular formula C18H36N2 and a molecular weight of 280.50 g/mol. Its IUPAC name is 3-(2-methylbutyl)-9-(2-methylpropyl)-3,9-diazaspiro[5.5]undecane.

Molecular Properties

Compound Name3-(2-methylbutyl)-9-(2-methylpropyl)-3,9-diazaspiro[5.5]undecane
PubChem CID156860444
Molecular FormulaC18H36N2
Molecular Weight280.50 g/mol
Exact Mass280.29
IUPAC Name3-(2-methylbutyl)-9-(2-methylpropyl)-3,9-diazaspiro[5.5]undecane
SMILESCCC(C)CN1CCC2(CCN(CC(C)C)CC2)CC1
InChIInChI=1S/C18H36N2/c1-5-17(4)15-20-12-8-18(9-13-20)6-10-19(11-7-18)14-16(2)3/h16-17H,5-15H2,1-4H3
InChIKeyFJYOXFSMHRPEQX-UHFFFAOYSA-N
XLogP3.87
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.50
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

9-butyl-3-(2-methylpropyl)-3,9-diazaspiro[5.5]undecane
CID 163400374
2,8-bis(2-methylpropyl)-2,8-diazaspiro[4.5]decane
CID 129193421
ethane;1-[9-(2-methylpropyl)-3,9-diazaspiro[5.5]undecan-3-yl]propan-1-one
CID 155707184
4,4-diethyl-1-(2-methylpropyl)piperidine;ethane
CID 154670691
4-methyl-1-(2-methylbutyl)azepan-4-ol
CID 107407764
1-methyl-4-[(2S)-2-methylbutyl]piperazine
CID 130224614
9-methyl-3-(2-methylhexyl)-3,9-diazaspiro[5.5]undecane
CID 170250361
3-(3-bromo-2-methylpropyl)-3-azaspiro[5.5]undecane
CID 64994761
1-[9-(2-methylpropyl)-3,9-diazaspiro[5.5]undecan-3-yl]pentan-1-one
CID 155579599
(2R)-1-(6-azaspiro[2.5]octan-6-yl)propan-2-amine
CID 122669555
4-(8-azaspiro[4.5]decan-8-yl)-3-methylbutan-1-amine
CID 80544143
4-methyl-1-[9-(2-methylpropyl)-3,9-diazaspiro[5.5]undecan-3-yl]pent-4-en-1-one
CID 170953549

Frequently Asked Questions

What is the IUPAC name of 3-(2-methylbutyl)-9-(2-methylpropyl)-3,9-diazaspiro[5.5]undecane?
The IUPAC name of 3-(2-methylbutyl)-9-(2-methylpropyl)-3,9-diazaspiro[5.5]undecane (CID 156860444) is 3-(2-methylbutyl)-9-(2-methylpropyl)-3,9-diazaspiro[5.5]undecane.
What is the SMILES notation for 3-(2-methylbutyl)-9-(2-methylpropyl)-3,9-diazaspiro[5.5]undecane?
The canonical SMILES for 3-(2-methylbutyl)-9-(2-methylpropyl)-3,9-diazaspiro[5.5]undecane is CCC(C)CN1CCC2(CCN(CC(C)C)CC2)CC1.
What is the InChIKey of 3-(2-methylbutyl)-9-(2-methylpropyl)-3,9-diazaspiro[5.5]undecane?
The InChIKey is FJYOXFSMHRPEQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36N2/c1-5-17(4)15-20-12-8-18(9-13-20)6-10-19(11-7-18)14-16(2)3/h16-17H,5-15H2,1-4H3.
What are the key properties of 3-(2-methylbutyl)-9-(2-methylpropyl)-3,9-diazaspiro[5.5]undecane?
3-(2-methylbutyl)-9-(2-methylpropyl)-3,9-diazaspiro[5.5]undecane has a molecular weight of 280.50 g/mol, XLogP of 3.87, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylbutyl)-9-(2-methylpropyl)-3,9-diazaspiro[5.5]undecane is sourced from PubChem (CID 156860444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).