9-methyl-10-[2-(1-methylimidazol-2-yl)ethyl]-6,10-diazaspiro[4.6]undecane

C16H28N4 — CID 114532434

IUPAC9-methyl-10-[2-(1-methylimidazol-2-yl)ethyl]-6,10-diazaspiro[4.6]undecane
SMILESCC1CCNC2(CCCC2)CN1CCc1nccn1C
InChIInChI=1S/C16H28N4/c1-14-5-9-18-16(7-3-4-8-16)13-20(14)11-6-15-17-10-12-19(15)2/h10,12,14,18H,3-9,11,13H2,1-2H3
InChIKeyMIPFJIJIMWZMNQ-UHFFFAOYSA-N
MW276.43 g/mol
LogP1.96
Rot. Bonds3

About 9-methyl-10-[2-(1-methylimidazol-2-yl)ethyl]-6,10-diazaspiro[4.6]undecane

9-methyl-10-[2-(1-methylimidazol-2-yl)ethyl]-6,10-diazaspiro[4.6]undecane (PubChem CID 114532434) has the molecular formula C16H28N4 and a molecular weight of 276.43 g/mol. Its IUPAC name is 9-methyl-10-[2-(1-methylimidazol-2-yl)ethyl]-6,10-diazaspiro[4.6]undecane.

Molecular Properties

Compound Name9-methyl-10-[2-(1-methylimidazol-2-yl)ethyl]-6,10-diazaspiro[4.6]undecane
PubChem CID114532434
Molecular FormulaC16H28N4
Molecular Weight276.43 g/mol
Exact Mass276.23
IUPAC Name9-methyl-10-[2-(1-methylimidazol-2-yl)ethyl]-6,10-diazaspiro[4.6]undecane
SMILESCC1CCNC2(CCCC2)CN1CCc1nccn1C
InChIInChI=1S/C16H28N4/c1-14-5-9-18-16(7-3-4-8-16)13-20(14)11-6-15-17-10-12-19(15)2/h10,12,14,18H,3-9,11,13H2,1-2H3
InChIKeyMIPFJIJIMWZMNQ-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

10-methyl-11-[2-(2-methylimidazol-1-yl)ethyl]-7,11-diazaspiro[5.6]dodecane
CID 64869981
9-[2-(1-methylimidazol-2-yl)ethyl]-8-propan-2-yl-6,9-diazaspiro[4.5]decane
CID 114532376
8,8-dimethyl-9-[2-(1-methylimidazol-2-yl)ethyl]-6,9-diazaspiro[4.5]decane
CID 114532378
10-methyl-11-propyl-7,11-diazaspiro[5.6]dodecane
CID 64870179
11-[(1-methylimidazol-2-yl)methyl]-7,11-diazaspiro[5.6]dodecane
CID 64949408
9-methyl-10-[(2-methyltetrazol-5-yl)methyl]-6,10-diazaspiro[4.6]undecane
CID 107056270
9-methyl-10-[2-(oxolan-2-yl)ethyl]-6,10-diazaspiro[4.6]undecane
CID 65170391
10-(3-ethylsulfanylpropyl)-9-methyl-6,10-diazaspiro[4.6]undecane
CID 113474602
8-methyl-9-(2-pyridin-4-ylethyl)-6,9-diazaspiro[4.5]decane
CID 64933810
10-methyl-11-(pyridin-3-ylmethyl)-7,11-diazaspiro[5.6]dodecane
CID 64872357
9-methyl-10-[2-(2-methylpropoxy)ethyl]-6,10-diazaspiro[4.6]undecane
CID 106458879
10-methyl-11-[2-(trifluoromethylsulfanyl)ethyl]-7,11-diazaspiro[5.6]dodecane
CID 116627590

Frequently Asked Questions

What is the IUPAC name of 9-methyl-10-[2-(1-methylimidazol-2-yl)ethyl]-6,10-diazaspiro[4.6]undecane?
The IUPAC name of 9-methyl-10-[2-(1-methylimidazol-2-yl)ethyl]-6,10-diazaspiro[4.6]undecane (CID 114532434) is 9-methyl-10-[2-(1-methylimidazol-2-yl)ethyl]-6,10-diazaspiro[4.6]undecane.
What is the SMILES notation for 9-methyl-10-[2-(1-methylimidazol-2-yl)ethyl]-6,10-diazaspiro[4.6]undecane?
The canonical SMILES for 9-methyl-10-[2-(1-methylimidazol-2-yl)ethyl]-6,10-diazaspiro[4.6]undecane is CC1CCNC2(CCCC2)CN1CCc1nccn1C.
What is the InChIKey of 9-methyl-10-[2-(1-methylimidazol-2-yl)ethyl]-6,10-diazaspiro[4.6]undecane?
The InChIKey is MIPFJIJIMWZMNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4/c1-14-5-9-18-16(7-3-4-8-16)13-20(14)11-6-15-17-10-12-19(15)2/h10,12,14,18H,3-9,11,13H2,1-2H3.
What are the key properties of 9-methyl-10-[2-(1-methylimidazol-2-yl)ethyl]-6,10-diazaspiro[4.6]undecane?
9-methyl-10-[2-(1-methylimidazol-2-yl)ethyl]-6,10-diazaspiro[4.6]undecane 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 9-methyl-10-[2-(1-methylimidazol-2-yl)ethyl]-6,10-diazaspiro[4.6]undecane is sourced from PubChem (CID 114532434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).