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

C16H28N4 — CID 114532378

IUPAC8,8-dimethyl-9-[2-(1-methylimidazol-2-yl)ethyl]-6,9-diazaspiro[4.5]decane
SMILESCn1ccnc1CCN1CC2(CCCC2)NCC1(C)C
InChIInChI=1S/C16H28N4/c1-15(2)12-18-16(7-4-5-8-16)13-20(15)10-6-14-17-9-11-19(14)3/h9,11,18H,4-8,10,12-13H2,1-3H3
InChIKeyASUIIOISDRQEHN-UHFFFAOYSA-N
MW276.43 g/mol
LogP1.96
Rot. Bonds3

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

8,8-dimethyl-9-[2-(1-methylimidazol-2-yl)ethyl]-6,9-diazaspiro[4.5]decane (PubChem CID 114532378) has the molecular formula C16H28N4 and a molecular weight of 276.43 g/mol. Its IUPAC name is 8,8-dimethyl-9-[2-(1-methylimidazol-2-yl)ethyl]-6,9-diazaspiro[4.5]decane.

Molecular Properties

Compound Name8,8-dimethyl-9-[2-(1-methylimidazol-2-yl)ethyl]-6,9-diazaspiro[4.5]decane
PubChem CID114532378
Molecular FormulaC16H28N4
Molecular Weight276.43 g/mol
Exact Mass276.23
IUPAC Name8,8-dimethyl-9-[2-(1-methylimidazol-2-yl)ethyl]-6,9-diazaspiro[4.5]decane
SMILESCn1ccnc1CCN1CC2(CCCC2)NCC1(C)C
InChIInChI=1S/C16H28N4/c1-15(2)12-18-16(7-4-5-8-16)13-20(15)10-6-14-17-9-11-19(14)3/h9,11,18H,4-8,10,12-13H2,1-3H3
InChIKeyASUIIOISDRQEHN-UHFFFAOYSA-N
XLogP1.96
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.43
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

9-methyl-10-[2-(1-methylimidazol-2-yl)ethyl]-6,10-diazaspiro[4.6]undecane
CID 114532434
9-[2-(1-methylimidazol-2-yl)ethyl]-8-propan-2-yl-6,9-diazaspiro[4.5]decane
CID 114532376
8,8-dimethyl-9-[(1-methylpyrazol-3-yl)methyl]-6,9-diazaspiro[4.5]decane
CID 82871949
2-[2-[1-(bromomethyl)cyclopentyl]ethyl]-1-methylimidazole
CID 114532734
11-[(1-methylimidazol-2-yl)methyl]-7,11-diazaspiro[5.6]dodecane
CID 64949408
6-[2-(1-methylimidazol-2-yl)ethyl]-6,9-diazaspiro[4.5]decane-7,10-dione
CID 114532500
4-(2-ethoxyethyl)-3,3-dimethyl-1,4-diazaspiro[5.5]undecane
CID 64878399
3-fluoro-3-[2-(1-methylimidazol-2-yl)ethyl]piperidine
CID 114533123
1-(1-methylcyclopentyl)-3-(1-methylimidazol-2-yl)propan-1-one
CID 115811706
1-[2-(1-methylimidazol-2-yl)ethyl]piperazine-2,6-dione
CID 114531283
N-[[1-[2-(1-methylimidazol-2-yl)ethyl]cyclopentyl]methyl]propan-2-amine
CID 114531428
3,3-dimethyl-1-[(1-methylimidazol-2-yl)methyl]-1,4-diazepane
CID 64949409

Frequently Asked Questions

What is the IUPAC name of 8,8-dimethyl-9-[2-(1-methylimidazol-2-yl)ethyl]-6,9-diazaspiro[4.5]decane?
The IUPAC name of 8,8-dimethyl-9-[2-(1-methylimidazol-2-yl)ethyl]-6,9-diazaspiro[4.5]decane (CID 114532378) is 8,8-dimethyl-9-[2-(1-methylimidazol-2-yl)ethyl]-6,9-diazaspiro[4.5]decane.
What is the SMILES notation for 8,8-dimethyl-9-[2-(1-methylimidazol-2-yl)ethyl]-6,9-diazaspiro[4.5]decane?
The canonical SMILES for 8,8-dimethyl-9-[2-(1-methylimidazol-2-yl)ethyl]-6,9-diazaspiro[4.5]decane is Cn1ccnc1CCN1CC2(CCCC2)NCC1(C)C.
What is the InChIKey of 8,8-dimethyl-9-[2-(1-methylimidazol-2-yl)ethyl]-6,9-diazaspiro[4.5]decane?
The InChIKey is ASUIIOISDRQEHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4/c1-15(2)12-18-16(7-4-5-8-16)13-20(15)10-6-14-17-9-11-19(14)3/h9,11,18H,4-8,10,12-13H2,1-3H3.
What are the key properties of 8,8-dimethyl-9-[2-(1-methylimidazol-2-yl)ethyl]-6,9-diazaspiro[4.5]decane?
8,8-dimethyl-9-[2-(1-methylimidazol-2-yl)ethyl]-6,9-diazaspiro[4.5]decane has a molecular weight of 276.43 g/mol, XLogP of 1.96, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8,8-dimethyl-9-[2-(1-methylimidazol-2-yl)ethyl]-6,9-diazaspiro[4.5]decane is sourced from PubChem (CID 114532378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).