10-methyl-11-[2-(2-methylimidazol-1-yl)ethyl]-7,11-diazaspiro[5.6]dodecane

C17H30N4 — CID 64869981

IUPAC10-methyl-11-[2-(2-methylimidazol-1-yl)ethyl]-7,11-diazaspiro[5.6]dodecane
SMILESCc1nccn1CCN1CC2(CCCCC2)NCCC1C
InChIInChI=1S/C17H30N4/c1-15-6-9-19-17(7-4-3-5-8-17)14-21(15)13-12-20-11-10-18-16(20)2/h10-11,15,19H,3-9,12-14H2,1-2H3
InChIKeyFKVVGRHGFNVBRT-UHFFFAOYSA-N
MW290.45 g/mol
LogP2.58
Rot. Bonds3

About 10-methyl-11-[2-(2-methylimidazol-1-yl)ethyl]-7,11-diazaspiro[5.6]dodecane

10-methyl-11-[2-(2-methylimidazol-1-yl)ethyl]-7,11-diazaspiro[5.6]dodecane (PubChem CID 64869981) has the molecular formula C17H30N4 and a molecular weight of 290.45 g/mol. Its IUPAC name is 10-methyl-11-[2-(2-methylimidazol-1-yl)ethyl]-7,11-diazaspiro[5.6]dodecane.

Molecular Properties

Compound Name10-methyl-11-[2-(2-methylimidazol-1-yl)ethyl]-7,11-diazaspiro[5.6]dodecane
PubChem CID64869981
Molecular FormulaC17H30N4
Molecular Weight290.45 g/mol
Exact Mass290.25
IUPAC Name10-methyl-11-[2-(2-methylimidazol-1-yl)ethyl]-7,11-diazaspiro[5.6]dodecane
SMILESCc1nccn1CCN1CC2(CCCCC2)NCCC1C
InChIInChI=1S/C17H30N4/c1-15-6-9-19-17(7-4-3-5-8-17)14-21(15)13-12-20-11-10-18-16(20)2/h10-11,15,19H,3-9,12-14H2,1-2H3
InChIKeyFKVVGRHGFNVBRT-UHFFFAOYSA-N
XLogP2.58
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-cyclopropyl-3,7-dimethyl-1-[2-(2-methylimidazol-1-yl)ethyl]-1,4-diazepane
CID 64871007
9-methyl-10-[2-(1-methylimidazol-2-yl)ethyl]-6,10-diazaspiro[4.6]undecane
CID 114532434
10-methyl-11-(pyridin-3-ylmethyl)-7,11-diazaspiro[5.6]dodecane
CID 64872357
9-methyl-10-[(2-methyltetrazol-5-yl)methyl]-6,10-diazaspiro[4.6]undecane
CID 107056270
10-methyl-11-[2-(trifluoromethylsulfanyl)ethyl]-7,11-diazaspiro[5.6]dodecane
CID 116627590
11-(2,2-difluoroethyl)-10-methyl-7,11-diazaspiro[5.6]dodecane
CID 64871559
10-methyl-11-(2,2,2-trifluoroethyl)-7,11-diazaspiro[5.6]dodecane
CID 64871366
10-methyl-11-[(3-methylphenyl)methyl]-7,11-diazaspiro[5.6]dodecane
CID 64870965
9-methyl-10-[2-(2-methylpropoxy)ethyl]-6,10-diazaspiro[4.6]undecane
CID 106458879
N-[(1-methylcyclopentyl)methyl]-2-(2-methylimidazol-1-yl)ethanamine
CID 63821869
9-methyl-10-(3-methylbut-2-enyl)-6,10-diazaspiro[4.6]undecane
CID 114014155
11-[(5-bromothiophen-2-yl)methyl]-10-methyl-7,11-diazaspiro[5.6]dodecane
CID 64870765

Frequently Asked Questions

What is the IUPAC name of 10-methyl-11-[2-(2-methylimidazol-1-yl)ethyl]-7,11-diazaspiro[5.6]dodecane?
The IUPAC name of 10-methyl-11-[2-(2-methylimidazol-1-yl)ethyl]-7,11-diazaspiro[5.6]dodecane (CID 64869981) is 10-methyl-11-[2-(2-methylimidazol-1-yl)ethyl]-7,11-diazaspiro[5.6]dodecane.
What is the SMILES notation for 10-methyl-11-[2-(2-methylimidazol-1-yl)ethyl]-7,11-diazaspiro[5.6]dodecane?
The canonical SMILES for 10-methyl-11-[2-(2-methylimidazol-1-yl)ethyl]-7,11-diazaspiro[5.6]dodecane is Cc1nccn1CCN1CC2(CCCCC2)NCCC1C.
What is the InChIKey of 10-methyl-11-[2-(2-methylimidazol-1-yl)ethyl]-7,11-diazaspiro[5.6]dodecane?
The InChIKey is FKVVGRHGFNVBRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N4/c1-15-6-9-19-17(7-4-3-5-8-17)14-21(15)13-12-20-11-10-18-16(20)2/h10-11,15,19H,3-9,12-14H2,1-2H3.
What are the key properties of 10-methyl-11-[2-(2-methylimidazol-1-yl)ethyl]-7,11-diazaspiro[5.6]dodecane?
10-methyl-11-[2-(2-methylimidazol-1-yl)ethyl]-7,11-diazaspiro[5.6]dodecane has a molecular weight of 290.45 g/mol, XLogP of 2.58, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10-methyl-11-[2-(2-methylimidazol-1-yl)ethyl]-7,11-diazaspiro[5.6]dodecane is sourced from PubChem (CID 64869981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).