9-methyl-3-(2-methylhexyl)-3,9-diazaspiro[5.5]undecane

C17H34N2 — CID 170250361

IUPAC9-methyl-3-(2-methylhexyl)-3,9-diazaspiro[5.5]undecane
SMILESCCCCC(C)CN1CCC2(CCN(C)CC2)CC1
InChIInChI=1S/C17H34N2/c1-4-5-6-16(2)15-19-13-9-17(10-14-19)7-11-18(3)12-8-17/h16H,4-15H2,1-3H3
InChIKeyHZZKGRHPTFQLCM-UHFFFAOYSA-N
MW266.47 g/mol
LogP3.62
Rot. Bonds5

About 9-methyl-3-(2-methylhexyl)-3,9-diazaspiro[5.5]undecane

9-methyl-3-(2-methylhexyl)-3,9-diazaspiro[5.5]undecane (PubChem CID 170250361) has the molecular formula C17H34N2 and a molecular weight of 266.47 g/mol. Its IUPAC name is 9-methyl-3-(2-methylhexyl)-3,9-diazaspiro[5.5]undecane.

Molecular Properties

Compound Name9-methyl-3-(2-methylhexyl)-3,9-diazaspiro[5.5]undecane
PubChem CID170250361
Molecular FormulaC17H34N2
Molecular Weight266.47 g/mol
Exact Mass266.27
IUPAC Name9-methyl-3-(2-methylhexyl)-3,9-diazaspiro[5.5]undecane
SMILESCCCCC(C)CN1CCC2(CCN(C)CC2)CC1
InChIInChI=1S/C17H34N2/c1-4-5-6-16(2)15-19-13-9-17(10-14-19)7-11-18(3)12-8-17/h16H,4-15H2,1-3H3
InChIKeyHZZKGRHPTFQLCM-UHFFFAOYSA-N
XLogP3.62
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.47
LogP ≤ 53.62
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
4-methyl-1-[9-(2-methylheptyl)-3,9-diazaspiro[5.5]undecan-3-yl]pentan-1-one
CID 166678947
3-(2,2-difluoroethyl)-9-methyl-3,9-diazaspiro[5.5]undecane
CID 159839871
3-(2-methylbutyl)-9-(2-methylpropyl)-3,9-diazaspiro[5.5]undecane
CID 156860444
4-(8-azaspiro[4.5]decan-8-yl)-3-methylbutan-1-amine
CID 80544143
3-(3-bromo-2-methylpropyl)-3-azaspiro[5.5]undecane
CID 64994761
7-methyl-2-(2-propylpentyl)-2,7-diazaspiro[3.5]nonane
CID 171656992
1-(4-methylpiperazin-1-yl)hexan-2-amine
CID 60853142
1-methyl-4-[(2S)-2-methylbutyl]piperazine
CID 130224614
N-[2-(9-methyl-3,9-diazaspiro[5.5]undecan-3-yl)ethyl]propan-2-amine
CID 159674202
ethane;2-(2-methylhexyl)-3,4-dihydro-1H-isoquinoline
CID 158221381
1-[9-(2-methylpropyl)-3,9-diazaspiro[5.5]undecan-3-yl]pentan-1-one
CID 155579599

Frequently Asked Questions

What is the IUPAC name of 9-methyl-3-(2-methylhexyl)-3,9-diazaspiro[5.5]undecane?
The IUPAC name of 9-methyl-3-(2-methylhexyl)-3,9-diazaspiro[5.5]undecane (CID 170250361) is 9-methyl-3-(2-methylhexyl)-3,9-diazaspiro[5.5]undecane.
What is the SMILES notation for 9-methyl-3-(2-methylhexyl)-3,9-diazaspiro[5.5]undecane?
The canonical SMILES for 9-methyl-3-(2-methylhexyl)-3,9-diazaspiro[5.5]undecane is CCCCC(C)CN1CCC2(CCN(C)CC2)CC1.
What is the InChIKey of 9-methyl-3-(2-methylhexyl)-3,9-diazaspiro[5.5]undecane?
The InChIKey is HZZKGRHPTFQLCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2/c1-4-5-6-16(2)15-19-13-9-17(10-14-19)7-11-18(3)12-8-17/h16H,4-15H2,1-3H3.
What are the key properties of 9-methyl-3-(2-methylhexyl)-3,9-diazaspiro[5.5]undecane?
9-methyl-3-(2-methylhexyl)-3,9-diazaspiro[5.5]undecane has a molecular weight of 266.47 g/mol, XLogP of 3.62, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methyl-3-(2-methylhexyl)-3,9-diazaspiro[5.5]undecane is sourced from PubChem (CID 170250361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).