3-butan-2-yl-4-(3-methylbutyl)-1,4-diazaspiro[5.5]undecane

C18H36N2 — CID 64877619

IUPAC3-butan-2-yl-4-(3-methylbutyl)-1,4-diazaspiro[5.5]undecane
SMILESCCC(C)C1CNC2(CCCCC2)CN1CCC(C)C
InChIInChI=1S/C18H36N2/c1-5-16(4)17-13-19-18(10-7-6-8-11-18)14-20(17)12-9-15(2)3/h15-17,19H,5-14H2,1-4H3
InChIKeyVMPVVWPWKRGVNS-UHFFFAOYSA-N
MW280.50 g/mol
LogP4.06
Rot. Bonds5

About 3-butan-2-yl-4-(3-methylbutyl)-1,4-diazaspiro[5.5]undecane

3-butan-2-yl-4-(3-methylbutyl)-1,4-diazaspiro[5.5]undecane (PubChem CID 64877619) has the molecular formula C18H36N2 and a molecular weight of 280.50 g/mol. Its IUPAC name is 3-butan-2-yl-4-(3-methylbutyl)-1,4-diazaspiro[5.5]undecane.

Molecular Properties

Compound Name3-butan-2-yl-4-(3-methylbutyl)-1,4-diazaspiro[5.5]undecane
PubChem CID64877619
Molecular FormulaC18H36N2
Molecular Weight280.50 g/mol
Exact Mass280.29
IUPAC Name3-butan-2-yl-4-(3-methylbutyl)-1,4-diazaspiro[5.5]undecane
SMILESCCC(C)C1CNC2(CCCCC2)CN1CCC(C)C
InChIInChI=1S/C18H36N2/c1-5-16(4)17-13-19-18(10-7-6-8-11-18)14-20(17)12-9-15(2)3/h15-17,19H,5-14H2,1-4H3
InChIKeyVMPVVWPWKRGVNS-UHFFFAOYSA-N
XLogP4.06
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.50
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

8-butan-2-yl-9-hexyl-6,9-diazaspiro[4.5]decane
CID 64875646
8-butan-2-yl-9-(3,3,3-trifluoropropyl)-6,9-diazaspiro[4.5]decane
CID 64878141
3-butan-2-yl-4-(cyclopropylmethyl)-1,4-diazaspiro[5.5]undecane
CID 64877428
3-tert-butyl-4-(3-methylbutyl)-1,4-diazaspiro[5.5]undecane
CID 64878202
9-(5-methylhexyl)-8-propan-2-yl-6,9-diazaspiro[4.5]decane
CID 115327089
3-butan-2-yl-4-[(E)-3-chloroprop-2-enyl]-1,4-diazaspiro[5.5]undecane
CID 107901725
8-butan-2-yl-9-(2-thiophen-3-ylethyl)-6,9-diazaspiro[4.5]decane
CID 64877949
8-butan-2-yl-9-[(1-methyltriazol-4-yl)methyl]-6,9-diazaspiro[4.5]decane
CID 107055888
9-(2-methylbutyl)-8-propan-2-yl-6,9-diazaspiro[4.5]decane
CID 64878139
9-(2-ethoxyethyl)-8-propan-2-yl-6,9-diazaspiro[4.5]decane
CID 64878522
4-(5-methylhexan-2-yl)-3-propan-2-yl-1,4-diazaspiro[5.5]undecane
CID 64939492
3-methyl-4-(2-methylpropyl)-1,4-diazaspiro[5.5]undecane
CID 64877798

Frequently Asked Questions

What is the IUPAC name of 3-butan-2-yl-4-(3-methylbutyl)-1,4-diazaspiro[5.5]undecane?
The IUPAC name of 3-butan-2-yl-4-(3-methylbutyl)-1,4-diazaspiro[5.5]undecane (CID 64877619) is 3-butan-2-yl-4-(3-methylbutyl)-1,4-diazaspiro[5.5]undecane.
What is the SMILES notation for 3-butan-2-yl-4-(3-methylbutyl)-1,4-diazaspiro[5.5]undecane?
The canonical SMILES for 3-butan-2-yl-4-(3-methylbutyl)-1,4-diazaspiro[5.5]undecane is CCC(C)C1CNC2(CCCCC2)CN1CCC(C)C.
What is the InChIKey of 3-butan-2-yl-4-(3-methylbutyl)-1,4-diazaspiro[5.5]undecane?
The InChIKey is VMPVVWPWKRGVNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36N2/c1-5-16(4)17-13-19-18(10-7-6-8-11-18)14-20(17)12-9-15(2)3/h15-17,19H,5-14H2,1-4H3.
What are the key properties of 3-butan-2-yl-4-(3-methylbutyl)-1,4-diazaspiro[5.5]undecane?
3-butan-2-yl-4-(3-methylbutyl)-1,4-diazaspiro[5.5]undecane has a molecular weight of 280.50 g/mol, XLogP of 4.06, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butan-2-yl-4-(3-methylbutyl)-1,4-diazaspiro[5.5]undecane is sourced from PubChem (CID 64877619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).