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

C17H34N2 — CID 163400374

IUPAC9-butyl-3-(2-methylpropyl)-3,9-diazaspiro[5.5]undecane
SMILESCCCCN1CCC2(CC1)CCN(CC(C)C)CC2
InChIInChI=1S/C17H34N2/c1-4-5-10-18-11-6-17(7-12-18)8-13-19(14-9-17)15-16(2)3/h16H,4-15H2,1-3H3
InChIKeyGJEFIAZUBCWEOX-UHFFFAOYSA-N
MW266.47 g/mol
LogP3.62
Rot. Bonds5

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

9-butyl-3-(2-methylpropyl)-3,9-diazaspiro[5.5]undecane (PubChem CID 163400374) has the molecular formula C17H34N2 and a molecular weight of 266.47 g/mol. Its IUPAC name is 9-butyl-3-(2-methylpropyl)-3,9-diazaspiro[5.5]undecane.

Molecular Properties

Compound Name9-butyl-3-(2-methylpropyl)-3,9-diazaspiro[5.5]undecane
PubChem CID163400374
Molecular FormulaC17H34N2
Molecular Weight266.47 g/mol
Exact Mass266.27
IUPAC Name9-butyl-3-(2-methylpropyl)-3,9-diazaspiro[5.5]undecane
SMILESCCCCN1CCC2(CC1)CCN(CC(C)C)CC2
InChIInChI=1S/C17H34N2/c1-4-5-10-18-11-6-17(7-12-18)8-13-19(14-9-17)15-16(2)3/h16H,4-15H2,1-3H3
InChIKeyGJEFIAZUBCWEOX-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

3-(2-methylbutyl)-9-(2-methylpropyl)-3,9-diazaspiro[5.5]undecane
CID 156860444
1-[9-(2-methylpropyl)-3,9-diazaspiro[5.5]undecan-3-yl]pentan-1-one
CID 155579599
2,8-bis(2-methylpropyl)-2,8-diazaspiro[4.5]decane
CID 129193421
9-methyl-3-(2-methylhexyl)-3,9-diazaspiro[5.5]undecane
CID 170250361
ethane;1-[9-(2-methylpropyl)-3,9-diazaspiro[5.5]undecan-3-yl]propan-1-one
CID 155707184
1-(4-methylpentyl)-4-(2-methylpropyl)piperazine
CID 21131473
2,8-dipentyl-2,8-diazaspiro[4.5]decane;ethane
CID 156829992
N-methyl-3-[4-(2-methylpropyl)piperazin-1-yl]propan-1-amine
CID 62775254
N-butyl-N-[2-[4-(2-methylpropyl)piperazin-1-yl]ethyl]butan-1-amine
CID 174846213
8-butyl-2,8-diazaspiro[4.5]decane
CID 83699136
4,4-diethyl-1-(2-methylpropyl)piperidine;ethane
CID 154670691
4,4-dimethyl-1-(2-methylpropyl)piperidine;3,3-dimethyl-1-propylpiperidine
CID 177033063

Frequently Asked Questions

What is the IUPAC name of 9-butyl-3-(2-methylpropyl)-3,9-diazaspiro[5.5]undecane?
The IUPAC name of 9-butyl-3-(2-methylpropyl)-3,9-diazaspiro[5.5]undecane (CID 163400374) is 9-butyl-3-(2-methylpropyl)-3,9-diazaspiro[5.5]undecane.
What is the SMILES notation for 9-butyl-3-(2-methylpropyl)-3,9-diazaspiro[5.5]undecane?
The canonical SMILES for 9-butyl-3-(2-methylpropyl)-3,9-diazaspiro[5.5]undecane is CCCCN1CCC2(CC1)CCN(CC(C)C)CC2.
What is the InChIKey of 9-butyl-3-(2-methylpropyl)-3,9-diazaspiro[5.5]undecane?
The InChIKey is GJEFIAZUBCWEOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2/c1-4-5-10-18-11-6-17(7-12-18)8-13-19(14-9-17)15-16(2)3/h16H,4-15H2,1-3H3.
What are the key properties of 9-butyl-3-(2-methylpropyl)-3,9-diazaspiro[5.5]undecane?
9-butyl-3-(2-methylpropyl)-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-butyl-3-(2-methylpropyl)-3,9-diazaspiro[5.5]undecane is sourced from PubChem (CID 163400374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).