2-[(1-methylimidazol-2-yl)methyl]-2,6-diazaspiro[3.3]heptane

C10H16N4 — CID 171533329

IUPAC2-[(1-methylimidazol-2-yl)methyl]-2,6-diazaspiro[3.3]heptane
SMILESCn1ccnc1CN1CC2(CNC2)C1
InChIInChI=1S/C10H16N4/c1-13-3-2-12-9(13)4-14-7-10(8-14)5-11-6-10/h2-3,11H,4-8H2,1H3
InChIKeyCCXKCRUFBQZBAZ-UHFFFAOYSA-N
MW192.27 g/mol
LogP-0.17
Rot. Bonds2

About 2-[(1-methylimidazol-2-yl)methyl]-2,6-diazaspiro[3.3]heptane

2-[(1-methylimidazol-2-yl)methyl]-2,6-diazaspiro[3.3]heptane (PubChem CID 171533329) has the molecular formula C10H16N4 and a molecular weight of 192.27 g/mol. Its IUPAC name is 2-[(1-methylimidazol-2-yl)methyl]-2,6-diazaspiro[3.3]heptane.

Molecular Properties

Compound Name2-[(1-methylimidazol-2-yl)methyl]-2,6-diazaspiro[3.3]heptane
PubChem CID171533329
Molecular FormulaC10H16N4
Molecular Weight192.27 g/mol
Exact Mass192.14
IUPAC Name2-[(1-methylimidazol-2-yl)methyl]-2,6-diazaspiro[3.3]heptane
SMILESCn1ccnc1CN1CC2(CNC2)C1
InChIInChI=1S/C10H16N4/c1-13-3-2-12-9(13)4-14-7-10(8-14)5-11-6-10/h2-3,11H,4-8H2,1H3
InChIKeyCCXKCRUFBQZBAZ-UHFFFAOYSA-N
XLogP-0.17
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.27
LogP ≤ 5-0.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3,3-dimethyl-1-[(1-methylimidazol-2-yl)methyl]-1,4-diazepane
CID 64949409
1-(1-adamantyl)-4-[(1-methylimidazol-2-yl)methyl]piperazine
CID 70755285
(3R)-3-fluoro-3-methyl-1-[(1-methylimidazol-2-yl)methyl]piperidine
CID 129488138
9-(2-methoxyethyl)-2-[(1-methylimidazol-2-yl)methyl]-2,9-diazaspiro[5.5]undecane
CID 97484524
11-[(1-methylimidazol-2-yl)methyl]-7,11-diazaspiro[5.6]dodecane
CID 64949408
(5R)-2-[(1-methylimidazol-2-yl)methyl]-9-(pyridin-2-ylmethyl)-2,9-diazaspiro[4.5]decane
CID 97450006
2-(4-fluorophenyl)-7-[(1-methylimidazol-2-yl)methyl]-2,7-diazaspiro[4.4]nonan-3-one
CID 131640685
N-methyl-1-[(1-methylimidazol-2-yl)methyl]piperidin-4-amine
CID 63295696
9-[(1-methylimidazol-2-yl)methyl]-2,9-diazaspiro[4.5]decan-1-one
CID 131655738
10-[(1-methylimidazol-2-yl)methyl]-2-pyrimidin-2-yl-7-oxa-2,10-diazaspiro[4.6]undecane
CID 131649078
(5S)-10-[(1-methylimidazol-2-yl)methyl]-2-pyrimidin-2-yl-7-oxa-2,10-diazaspiro[4.6]undecane
CID 97472318
6-methyl-1-[(1-methylimidazol-2-yl)methyl]-1,4-diazepane
CID 63293537

Frequently Asked Questions

What is the IUPAC name of 2-[(1-methylimidazol-2-yl)methyl]-2,6-diazaspiro[3.3]heptane?
The IUPAC name of 2-[(1-methylimidazol-2-yl)methyl]-2,6-diazaspiro[3.3]heptane (CID 171533329) is 2-[(1-methylimidazol-2-yl)methyl]-2,6-diazaspiro[3.3]heptane.
What is the SMILES notation for 2-[(1-methylimidazol-2-yl)methyl]-2,6-diazaspiro[3.3]heptane?
The canonical SMILES for 2-[(1-methylimidazol-2-yl)methyl]-2,6-diazaspiro[3.3]heptane is Cn1ccnc1CN1CC2(CNC2)C1.
What is the InChIKey of 2-[(1-methylimidazol-2-yl)methyl]-2,6-diazaspiro[3.3]heptane?
The InChIKey is CCXKCRUFBQZBAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4/c1-13-3-2-12-9(13)4-14-7-10(8-14)5-11-6-10/h2-3,11H,4-8H2,1H3.
What are the key properties of 2-[(1-methylimidazol-2-yl)methyl]-2,6-diazaspiro[3.3]heptane?
2-[(1-methylimidazol-2-yl)methyl]-2,6-diazaspiro[3.3]heptane has a molecular weight of 192.27 g/mol, XLogP of -0.17, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-methylimidazol-2-yl)methyl]-2,6-diazaspiro[3.3]heptane is sourced from PubChem (CID 171533329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).