1-(cyclobutylmethyl)-3-propyl-1,4-diazaspiro[5.5]undecane

C17H32N2 — CID 65460666

IUPAC1-(cyclobutylmethyl)-3-propyl-1,4-diazaspiro[5.5]undecane
SMILESCCCC1CN(CC2CCC2)C2(CCCCC2)CN1
InChIInChI=1S/C17H32N2/c1-2-7-16-13-19(12-15-8-6-9-15)17(14-18-16)10-4-3-5-11-17/h15-16,18H,2-14H2,1H3
InChIKeyOCQDQEDADHECGF-UHFFFAOYSA-N
MW264.46 g/mol
LogP3.56
Rot. Bonds4

About 1-(cyclobutylmethyl)-3-propyl-1,4-diazaspiro[5.5]undecane

1-(cyclobutylmethyl)-3-propyl-1,4-diazaspiro[5.5]undecane (PubChem CID 65460666) has the molecular formula C17H32N2 and a molecular weight of 264.46 g/mol. Its IUPAC name is 1-(cyclobutylmethyl)-3-propyl-1,4-diazaspiro[5.5]undecane.

Molecular Properties

Compound Name1-(cyclobutylmethyl)-3-propyl-1,4-diazaspiro[5.5]undecane
PubChem CID65460666
Molecular FormulaC17H32N2
Molecular Weight264.46 g/mol
Exact Mass264.26
IUPAC Name1-(cyclobutylmethyl)-3-propyl-1,4-diazaspiro[5.5]undecane
SMILESCCCC1CN(CC2CCC2)C2(CCCCC2)CN1
InChIInChI=1S/C17H32N2/c1-2-7-16-13-19(12-15-8-6-9-15)17(14-18-16)10-4-3-5-11-17/h15-16,18H,2-14H2,1H3
InChIKeyOCQDQEDADHECGF-UHFFFAOYSA-N
XLogP3.56
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.46
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-fluoroethyl)-3-propyl-1,4-diazaspiro[5.5]undecane
CID 80698291
3-ethyl-1-(oxan-4-ylmethyl)-1,4-diazaspiro[5.5]undecane
CID 64843741
6-butyl-8-propyl-6,9-diazaspiro[4.5]decane
CID 64838046
1-(cyclobutylmethyl)-3-propan-2-yl-1,4-diazaspiro[5.5]undecane
CID 65461470
8-butan-2-yl-6-(cyclobutylmethyl)-6,9-diazaspiro[4.5]decane
CID 65462680
1-(cyclopropylmethyl)-2,2-diethyl-5-propylpiperazine
CID 64840755
3-propyl-1-(thiophen-3-ylmethyl)-1,4-diazaspiro[5.5]undecane
CID 64839410
6-butan-2-yl-8-propyl-6,9-diazaspiro[4.5]decane
CID 79444829
6-[(4-iodophenyl)methyl]-8-propyl-6,9-diazaspiro[4.5]decane
CID 65490573
3-ethyl-1-octyl-1,4-diazaspiro[5.5]undecane
CID 64843543
3-(2-methylpropyl)-1-propyl-1,4-diazaspiro[5.5]undecane
CID 64849927
3-ethyl-1-(2-fluoroethyl)-1,4-diazaspiro[5.5]undecane
CID 80697421

Frequently Asked Questions

What is the IUPAC name of 1-(cyclobutylmethyl)-3-propyl-1,4-diazaspiro[5.5]undecane?
The IUPAC name of 1-(cyclobutylmethyl)-3-propyl-1,4-diazaspiro[5.5]undecane (CID 65460666) is 1-(cyclobutylmethyl)-3-propyl-1,4-diazaspiro[5.5]undecane.
What is the SMILES notation for 1-(cyclobutylmethyl)-3-propyl-1,4-diazaspiro[5.5]undecane?
The canonical SMILES for 1-(cyclobutylmethyl)-3-propyl-1,4-diazaspiro[5.5]undecane is CCCC1CN(CC2CCC2)C2(CCCCC2)CN1.
What is the InChIKey of 1-(cyclobutylmethyl)-3-propyl-1,4-diazaspiro[5.5]undecane?
The InChIKey is OCQDQEDADHECGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2/c1-2-7-16-13-19(12-15-8-6-9-15)17(14-18-16)10-4-3-5-11-17/h15-16,18H,2-14H2,1H3.
What are the key properties of 1-(cyclobutylmethyl)-3-propyl-1,4-diazaspiro[5.5]undecane?
1-(cyclobutylmethyl)-3-propyl-1,4-diazaspiro[5.5]undecane has a molecular weight of 264.46 g/mol, XLogP of 3.56, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclobutylmethyl)-3-propyl-1,4-diazaspiro[5.5]undecane is sourced from PubChem (CID 65460666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).