9-(3-imidazol-1-ylpropyl)-8-propan-2-yl-6,9-diazaspiro[4.5]decane

C17H30N4 — CID 64875640

IUPAC9-(3-imidazol-1-ylpropyl)-8-propan-2-yl-6,9-diazaspiro[4.5]decane
SMILESCC(C)C1CNC2(CCCC2)CN1CCCn1ccnc1
InChIInChI=1S/C17H30N4/c1-15(2)16-12-19-17(6-3-4-7-17)13-21(16)10-5-9-20-11-8-18-14-20/h8,11,14-16,19H,3-7,9-10,12-13H2,1-2H3
InChIKeyVUCDTSYLGRPTHG-UHFFFAOYSA-N
MW290.45 g/mol
LogP2.52
Rot. Bonds5

About 9-(3-imidazol-1-ylpropyl)-8-propan-2-yl-6,9-diazaspiro[4.5]decane

9-(3-imidazol-1-ylpropyl)-8-propan-2-yl-6,9-diazaspiro[4.5]decane (PubChem CID 64875640) has the molecular formula C17H30N4 and a molecular weight of 290.45 g/mol. Its IUPAC name is 9-(3-imidazol-1-ylpropyl)-8-propan-2-yl-6,9-diazaspiro[4.5]decane.

Molecular Properties

Compound Name9-(3-imidazol-1-ylpropyl)-8-propan-2-yl-6,9-diazaspiro[4.5]decane
PubChem CID64875640
Molecular FormulaC17H30N4
Molecular Weight290.45 g/mol
Exact Mass290.25
IUPAC Name9-(3-imidazol-1-ylpropyl)-8-propan-2-yl-6,9-diazaspiro[4.5]decane
SMILESCC(C)C1CNC2(CCCC2)CN1CCCn1ccnc1
InChIInChI=1S/C17H30N4/c1-15(2)16-12-19-17(6-3-4-7-17)13-21(16)10-5-9-20-11-8-18-14-20/h8,11,14-16,19H,3-7,9-10,12-13H2,1-2H3
InChIKeyVUCDTSYLGRPTHG-UHFFFAOYSA-N
XLogP2.52
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-imidazol-1-ylpropyl)-5,5-dimethyl-2-propan-2-ylpiperazine
CID 64839499
9-(5-methylhexyl)-8-propan-2-yl-6,9-diazaspiro[4.5]decane
CID 115327089
1-(3-imidazol-1-ylpropyl)-2-propan-2-ylpiperazine
CID 64832153
9-[2-(1-methylimidazol-2-yl)ethyl]-8-propan-2-yl-6,9-diazaspiro[4.5]decane
CID 114532376
9-(3-methylsulfonylpropyl)-8-propan-2-yl-6,9-diazaspiro[4.5]decane
CID 64876601
8-propan-2-yl-9-(2-pyridin-2-ylethyl)-6,9-diazaspiro[4.5]decane
CID 64934328
9-(2-ethoxyethyl)-8-propan-2-yl-6,9-diazaspiro[4.5]decane
CID 64878522
9-[3-(oxolan-2-yl)propyl]-8-propan-2-yl-6,9-diazaspiro[4.5]decane
CID 65170041
4-methyl-2-[2-(8-propan-2-yl-6,9-diazaspiro[4.5]decan-9-yl)ethyl]-1,3-thiazole
CID 64940220
9-[(5-bromo-3-pyridinyl)methyl]-8-propan-2-yl-6,9-diazaspiro[4.5]decane
CID 104812531
4-[2-(oxolan-2-yl)ethyl]-3-propan-2-yl-1,4-diazaspiro[5.5]undecane
CID 64947296
9-[(1-methylpiperidin-3-yl)methyl]-8-propan-2-yl-6,9-diazaspiro[4.5]decane
CID 64947685

Frequently Asked Questions

What is the IUPAC name of 9-(3-imidazol-1-ylpropyl)-8-propan-2-yl-6,9-diazaspiro[4.5]decane?
The IUPAC name of 9-(3-imidazol-1-ylpropyl)-8-propan-2-yl-6,9-diazaspiro[4.5]decane (CID 64875640) is 9-(3-imidazol-1-ylpropyl)-8-propan-2-yl-6,9-diazaspiro[4.5]decane.
What is the SMILES notation for 9-(3-imidazol-1-ylpropyl)-8-propan-2-yl-6,9-diazaspiro[4.5]decane?
The canonical SMILES for 9-(3-imidazol-1-ylpropyl)-8-propan-2-yl-6,9-diazaspiro[4.5]decane is CC(C)C1CNC2(CCCC2)CN1CCCn1ccnc1.
What is the InChIKey of 9-(3-imidazol-1-ylpropyl)-8-propan-2-yl-6,9-diazaspiro[4.5]decane?
The InChIKey is VUCDTSYLGRPTHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N4/c1-15(2)16-12-19-17(6-3-4-7-17)13-21(16)10-5-9-20-11-8-18-14-20/h8,11,14-16,19H,3-7,9-10,12-13H2,1-2H3.
What are the key properties of 9-(3-imidazol-1-ylpropyl)-8-propan-2-yl-6,9-diazaspiro[4.5]decane?
9-(3-imidazol-1-ylpropyl)-8-propan-2-yl-6,9-diazaspiro[4.5]decane has a molecular weight of 290.45 g/mol, XLogP of 2.52, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(3-imidazol-1-ylpropyl)-8-propan-2-yl-6,9-diazaspiro[4.5]decane is sourced from PubChem (CID 64875640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).