8-butan-2-yl-9-[(1-methyltriazol-4-yl)methyl]-6,9-diazaspiro[4.5]decane

C16H29N5 — CID 107055888

IUPAC8-butan-2-yl-9-[(1-methyltriazol-4-yl)methyl]-6,9-diazaspiro[4.5]decane
SMILESCCC(C)C1CNC2(CCCC2)CN1Cc1cn(C)nn1
InChIInChI=1S/C16H29N5/c1-4-13(2)15-9-17-16(7-5-6-8-16)12-21(15)11-14-10-20(3)19-18-14/h10,13,15,17H,4-9,11-12H2,1-3H3
InChIKeyIMZKJACYHIJCKC-UHFFFAOYSA-N
MW291.44 g/mol
LogP1.95
Rot. Bonds4

About 8-butan-2-yl-9-[(1-methyltriazol-4-yl)methyl]-6,9-diazaspiro[4.5]decane

8-butan-2-yl-9-[(1-methyltriazol-4-yl)methyl]-6,9-diazaspiro[4.5]decane (PubChem CID 107055888) has the molecular formula C16H29N5 and a molecular weight of 291.44 g/mol. Its IUPAC name is 8-butan-2-yl-9-[(1-methyltriazol-4-yl)methyl]-6,9-diazaspiro[4.5]decane.

Molecular Properties

Compound Name8-butan-2-yl-9-[(1-methyltriazol-4-yl)methyl]-6,9-diazaspiro[4.5]decane
PubChem CID107055888
Molecular FormulaC16H29N5
Molecular Weight291.44 g/mol
Exact Mass291.24
IUPAC Name8-butan-2-yl-9-[(1-methyltriazol-4-yl)methyl]-6,9-diazaspiro[4.5]decane
SMILESCCC(C)C1CNC2(CCCC2)CN1Cc1cn(C)nn1
InChIInChI=1S/C16H29N5/c1-4-13(2)15-9-17-16(7-5-6-8-16)12-21(15)11-14-10-20(3)19-18-14/h10,13,15,17H,4-9,11-12H2,1-3H3
InChIKeyIMZKJACYHIJCKC-UHFFFAOYSA-N
XLogP1.95
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(1-methyltriazol-4-yl)methyl]-3-propan-2-yl-1,4-diazaspiro[5.5]undecane
CID 107055928
4-[(1-methyltriazol-4-yl)methyl]-3-propyl-1,4-diazaspiro[5.5]undecane
CID 107055925
5-ethyl-5-methyl-1-[(1-methyltriazol-4-yl)methyl]-2-propan-2-ylpiperazine
CID 107055837
3-butan-2-yl-4-(3-methylbutyl)-1,4-diazaspiro[5.5]undecane
CID 64877619
3-butan-2-yl-4-(cyclopropylmethyl)-1,4-diazaspiro[5.5]undecane
CID 64877428
8-butan-2-yl-9-hexyl-6,9-diazaspiro[4.5]decane
CID 64875646
2-butan-2-yl-5-cyclopropyl-1-[(1-methyltriazol-4-yl)methyl]piperazine
CID 107056103
8-butan-2-yl-9-(3,3,3-trifluoropropyl)-6,9-diazaspiro[4.5]decane
CID 64878141
3-[(3-propan-2-yl-1,4-diazaspiro[5.5]undecan-4-yl)methyl]-1,2-oxazole
CID 81174386
8-butan-2-yl-9-(2-thiophen-3-ylethyl)-6,9-diazaspiro[4.5]decane
CID 64877949
4-[(3-propan-2-yl-1,4-diazaspiro[5.5]undecan-4-yl)methyl]-1,3-thiazole
CID 64942380
3-butan-2-yl-4-[(E)-3-chloroprop-2-enyl]-1,4-diazaspiro[5.5]undecane
CID 107901725

Frequently Asked Questions

What is the IUPAC name of 8-butan-2-yl-9-[(1-methyltriazol-4-yl)methyl]-6,9-diazaspiro[4.5]decane?
The IUPAC name of 8-butan-2-yl-9-[(1-methyltriazol-4-yl)methyl]-6,9-diazaspiro[4.5]decane (CID 107055888) is 8-butan-2-yl-9-[(1-methyltriazol-4-yl)methyl]-6,9-diazaspiro[4.5]decane.
What is the SMILES notation for 8-butan-2-yl-9-[(1-methyltriazol-4-yl)methyl]-6,9-diazaspiro[4.5]decane?
The canonical SMILES for 8-butan-2-yl-9-[(1-methyltriazol-4-yl)methyl]-6,9-diazaspiro[4.5]decane is CCC(C)C1CNC2(CCCC2)CN1Cc1cn(C)nn1.
What is the InChIKey of 8-butan-2-yl-9-[(1-methyltriazol-4-yl)methyl]-6,9-diazaspiro[4.5]decane?
The InChIKey is IMZKJACYHIJCKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N5/c1-4-13(2)15-9-17-16(7-5-6-8-16)12-21(15)11-14-10-20(3)19-18-14/h10,13,15,17H,4-9,11-12H2,1-3H3.
What are the key properties of 8-butan-2-yl-9-[(1-methyltriazol-4-yl)methyl]-6,9-diazaspiro[4.5]decane?
8-butan-2-yl-9-[(1-methyltriazol-4-yl)methyl]-6,9-diazaspiro[4.5]decane has a molecular weight of 291.44 g/mol, XLogP of 1.95, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-butan-2-yl-9-[(1-methyltriazol-4-yl)methyl]-6,9-diazaspiro[4.5]decane is sourced from PubChem (CID 107055888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).