8-methyl-4-[(5-methyl-1H-imidazol-4-yl)methyl]-1,11-dioxa-4,8-diazaspiro[5.6]dodecane

C14H24N4O2 — CID 134072790

IUPAC8-methyl-4-[(5-methyl-1H-imidazol-4-yl)methyl]-1,11-dioxa-4,8-diazaspiro[5.6]dodecane
SMILESCc1[nH]cnc1CN1CCOC2(COCCN(C)C2)C1
InChIInChI=1S/C14H24N4O2/c1-12-13(16-11-15-12)7-18-4-6-20-14(9-18)8-17(2)3-5-19-10-14/h11H,3-10H2,1-2H3,(H,15,16)
InChIKeyDAGBVLGTWNYCOC-UHFFFAOYSA-N
MW280.37 g/mol
LogP0.25
Rot. Bonds2

About 8-methyl-4-[(5-methyl-1H-imidazol-4-yl)methyl]-1,11-dioxa-4,8-diazaspiro[5.6]dodecane

8-methyl-4-[(5-methyl-1H-imidazol-4-yl)methyl]-1,11-dioxa-4,8-diazaspiro[5.6]dodecane (PubChem CID 134072790) has the molecular formula C14H24N4O2 and a molecular weight of 280.37 g/mol. Its IUPAC name is 8-methyl-4-[(5-methyl-1H-imidazol-4-yl)methyl]-1,11-dioxa-4,8-diazaspiro[5.6]dodecane.

Molecular Properties

Compound Name8-methyl-4-[(5-methyl-1H-imidazol-4-yl)methyl]-1,11-dioxa-4,8-diazaspiro[5.6]dodecane
PubChem CID134072790
Molecular FormulaC14H24N4O2
Molecular Weight280.37 g/mol
Exact Mass280.19
IUPAC Name8-methyl-4-[(5-methyl-1H-imidazol-4-yl)methyl]-1,11-dioxa-4,8-diazaspiro[5.6]dodecane
SMILESCc1[nH]cnc1CN1CCOC2(COCCN(C)C2)C1
InChIInChI=1S/C14H24N4O2/c1-12-13(16-11-15-12)7-18-4-6-20-14(9-18)8-17(2)3-5-19-10-14/h11H,3-10H2,1-2H3,(H,15,16)
InChIKeyDAGBVLGTWNYCOC-UHFFFAOYSA-N
XLogP0.25
TPSA53.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 50.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 8-methyl-4-[(5-methyl-1H-imidazol-4-yl)methyl]-1,11-dioxa-4,8-diazaspiro[5.6]dodecane with MolForge

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Related Compounds

N-methyl-N-[(4-methyl-1H-imidazol-5-yl)methyl]-2-morpholin-4-ylpropan-1-amine
CID 50971906
4-({1-[(4-methyl-1H-imidazol-5-yl)methyl]-4-piperidinyl}methyl)morpholine
CID 70716922
N-(3-methoxypropyl)-1-methyl-N-[(4-methyl-1H-imidazol-5-yl)methyl]-4-piperidinamine
CID 70764160
4-[(4-methyl-1H-imidazol-5-yl)methyl]-2-(pyrrolidin-1-ylmethyl)-1,4-oxazepane
CID 74236034
8-(2-methoxyethyl)-4-[(5-methyl-1H-imidazol-4-yl)methyl]-1,11-dioxa-4,8-diazaspiro[5.6]dodecane
CID 134079073
4-[(5-Methyl-1H-imidazol-4-yl)methyl]morpholine
CID 13320625
2-methyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]-2-morpholin-4-ylpropan-1-amine
CID 55114588
({4-[(2-ethyl-4-methyl-1H-imidazol-5-yl)methyl]morpholin-2-yl}methyl)amine
CID 56705561
1-(1,4-dioxan-2-yl)-N-[(5-methyl-1H-imidazol-4-yl)methyl]methanamine
CID 62741193
2-butoxy-N-[(5-methyl-1H-imidazol-4-yl)methyl]ethanamine
CID 62741945
1-ethoxy-N-[(5-methyl-1H-imidazol-4-yl)methyl]propan-2-amine
CID 62743048
2-(2-methoxyethoxy)-N-[(5-methyl-1H-imidazol-4-yl)methyl]ethanamine
CID 62743227

Frequently Asked Questions

What is the IUPAC name of 8-methyl-4-[(5-methyl-1H-imidazol-4-yl)methyl]-1,11-dioxa-4,8-diazaspiro[5.6]dodecane?
The IUPAC name of 8-methyl-4-[(5-methyl-1H-imidazol-4-yl)methyl]-1,11-dioxa-4,8-diazaspiro[5.6]dodecane (CID 134072790) is 8-methyl-4-[(5-methyl-1H-imidazol-4-yl)methyl]-1,11-dioxa-4,8-diazaspiro[5.6]dodecane.
What is the SMILES notation for 8-methyl-4-[(5-methyl-1H-imidazol-4-yl)methyl]-1,11-dioxa-4,8-diazaspiro[5.6]dodecane?
The canonical SMILES for 8-methyl-4-[(5-methyl-1H-imidazol-4-yl)methyl]-1,11-dioxa-4,8-diazaspiro[5.6]dodecane is Cc1[nH]cnc1CN1CCOC2(COCCN(C)C2)C1.
What is the InChIKey of 8-methyl-4-[(5-methyl-1H-imidazol-4-yl)methyl]-1,11-dioxa-4,8-diazaspiro[5.6]dodecane?
The InChIKey is DAGBVLGTWNYCOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O2/c1-12-13(16-11-15-12)7-18-4-6-20-14(9-18)8-17(2)3-5-19-10-14/h11H,3-10H2,1-2H3,(H,15,16).
What are the key properties of 8-methyl-4-[(5-methyl-1H-imidazol-4-yl)methyl]-1,11-dioxa-4,8-diazaspiro[5.6]dodecane?
8-methyl-4-[(5-methyl-1H-imidazol-4-yl)methyl]-1,11-dioxa-4,8-diazaspiro[5.6]dodecane has a molecular weight of 280.37 g/mol, XLogP of 0.25, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-4-[(5-methyl-1H-imidazol-4-yl)methyl]-1,11-dioxa-4,8-diazaspiro[5.6]dodecane is sourced from PubChem (CID 134072790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).