9-[2-(1-methylimidazol-2-yl)ethyl]-8-propan-2-yl-6,9-diazaspiro[4.5]decane

C17H30N4 — CID 114532376

IUPAC9-[2-(1-methylimidazol-2-yl)ethyl]-8-propan-2-yl-6,9-diazaspiro[4.5]decane
SMILESCC(C)C1CNC2(CCCC2)CN1CCc1nccn1C
InChIInChI=1S/C17H30N4/c1-14(2)15-12-19-17(7-4-5-8-17)13-21(15)10-6-16-18-9-11-20(16)3/h9,11,14-15,19H,4-8,10,12-13H2,1-3H3
InChIKeyRKVCMABDTGSLPG-UHFFFAOYSA-N
MW290.45 g/mol
LogP2.21
Rot. Bonds4

About 9-[2-(1-methylimidazol-2-yl)ethyl]-8-propan-2-yl-6,9-diazaspiro[4.5]decane

9-[2-(1-methylimidazol-2-yl)ethyl]-8-propan-2-yl-6,9-diazaspiro[4.5]decane (PubChem CID 114532376) has the molecular formula C17H30N4 and a molecular weight of 290.45 g/mol. Its IUPAC name is 9-[2-(1-methylimidazol-2-yl)ethyl]-8-propan-2-yl-6,9-diazaspiro[4.5]decane.

Molecular Properties

Compound Name9-[2-(1-methylimidazol-2-yl)ethyl]-8-propan-2-yl-6,9-diazaspiro[4.5]decane
PubChem CID114532376
Molecular FormulaC17H30N4
Molecular Weight290.45 g/mol
Exact Mass290.25
IUPAC Name9-[2-(1-methylimidazol-2-yl)ethyl]-8-propan-2-yl-6,9-diazaspiro[4.5]decane
SMILESCC(C)C1CNC2(CCCC2)CN1CCc1nccn1C
InChIInChI=1S/C17H30N4/c1-14(2)15-12-19-17(7-4-5-8-17)13-21(15)10-6-16-18-9-11-20(16)3/h9,11,14-15,19H,4-8,10,12-13H2,1-3H3
InChIKeyRKVCMABDTGSLPG-UHFFFAOYSA-N
XLogP2.21
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 9-[2-(1-methylimidazol-2-yl)ethyl]-8-propan-2-yl-6,9-diazaspiro[4.5]decane with MolForge

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Related Compounds

9-methyl-10-[2-(1-methylimidazol-2-yl)ethyl]-6,10-diazaspiro[4.6]undecane
CID 114532434
4-methyl-2-[2-(8-propan-2-yl-6,9-diazaspiro[4.5]decan-9-yl)ethyl]-1,3-thiazole
CID 64940220
9-(3-imidazol-1-ylpropyl)-8-propan-2-yl-6,9-diazaspiro[4.5]decane
CID 64875640
8,8-dimethyl-9-[2-(1-methylimidazol-2-yl)ethyl]-6,9-diazaspiro[4.5]decane
CID 114532378
4-[2-(furan-2-yl)ethyl]-3-propan-2-yl-1,4-diazaspiro[5.5]undecane
CID 64946817
4-[(1-methyltriazol-4-yl)methyl]-3-propan-2-yl-1,4-diazaspiro[5.5]undecane
CID 107055928
4-[(3-propan-2-yl-1,4-diazaspiro[5.5]undecan-4-yl)methyl]-1,3-thiazole
CID 64942380
9-(3-methylsulfonylpropyl)-8-propan-2-yl-6,9-diazaspiro[4.5]decane
CID 64876601
4-[2-(oxolan-2-yl)ethyl]-3-propan-2-yl-1,4-diazaspiro[5.5]undecane
CID 64947296
9-(2-methylbutyl)-8-propan-2-yl-6,9-diazaspiro[4.5]decane
CID 64878139
11-[(1-methylimidazol-2-yl)methyl]-7,11-diazaspiro[5.6]dodecane
CID 64949408
9-[3-(oxolan-2-yl)propyl]-8-propan-2-yl-6,9-diazaspiro[4.5]decane
CID 65170041

Frequently Asked Questions

What is the IUPAC name of 9-[2-(1-methylimidazol-2-yl)ethyl]-8-propan-2-yl-6,9-diazaspiro[4.5]decane?
The IUPAC name of 9-[2-(1-methylimidazol-2-yl)ethyl]-8-propan-2-yl-6,9-diazaspiro[4.5]decane (CID 114532376) is 9-[2-(1-methylimidazol-2-yl)ethyl]-8-propan-2-yl-6,9-diazaspiro[4.5]decane.
What is the SMILES notation for 9-[2-(1-methylimidazol-2-yl)ethyl]-8-propan-2-yl-6,9-diazaspiro[4.5]decane?
The canonical SMILES for 9-[2-(1-methylimidazol-2-yl)ethyl]-8-propan-2-yl-6,9-diazaspiro[4.5]decane is CC(C)C1CNC2(CCCC2)CN1CCc1nccn1C.
What is the InChIKey of 9-[2-(1-methylimidazol-2-yl)ethyl]-8-propan-2-yl-6,9-diazaspiro[4.5]decane?
The InChIKey is RKVCMABDTGSLPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N4/c1-14(2)15-12-19-17(7-4-5-8-17)13-21(15)10-6-16-18-9-11-20(16)3/h9,11,14-15,19H,4-8,10,12-13H2,1-3H3.
What are the key properties of 9-[2-(1-methylimidazol-2-yl)ethyl]-8-propan-2-yl-6,9-diazaspiro[4.5]decane?
9-[2-(1-methylimidazol-2-yl)ethyl]-8-propan-2-yl-6,9-diazaspiro[4.5]decane has a molecular weight of 290.45 g/mol, XLogP of 2.21, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[2-(1-methylimidazol-2-yl)ethyl]-8-propan-2-yl-6,9-diazaspiro[4.5]decane is sourced from PubChem (CID 114532376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).