9-[(5-methyl-1H-imidazol-2-yl)methyl]-3,9-diazaspiro[5.6]dodecane

C15H26N4 — CID 77096135

IUPAC9-[(5-methyl-1H-imidazol-2-yl)methyl]-3,9-diazaspiro[5.6]dodecane
SMILESCc1cnc(CN2CCCC3(CCNCC3)CC2)[nH]1
InChIInChI=1S/C15H26N4/c1-13-11-17-14(18-13)12-19-9-2-3-15(6-10-19)4-7-16-8-5-15/h11,16H,2-10,12H2,1H3,(H,17,18)
InChIKeyCDYQDHXKOHUKCA-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.07
Rot. Bonds2

About 9-[(5-methyl-1H-imidazol-2-yl)methyl]-3,9-diazaspiro[5.6]dodecane

9-[(5-methyl-1H-imidazol-2-yl)methyl]-3,9-diazaspiro[5.6]dodecane (PubChem CID 77096135) has the molecular formula C15H26N4 and a molecular weight of 262.40 g/mol. Its IUPAC name is 9-[(5-methyl-1H-imidazol-2-yl)methyl]-3,9-diazaspiro[5.6]dodecane.

Molecular Properties

Compound Name9-[(5-methyl-1H-imidazol-2-yl)methyl]-3,9-diazaspiro[5.6]dodecane
PubChem CID77096135
Molecular FormulaC15H26N4
Molecular Weight262.40 g/mol
Exact Mass262.22
IUPAC Name9-[(5-methyl-1H-imidazol-2-yl)methyl]-3,9-diazaspiro[5.6]dodecane
SMILESCc1cnc(CN2CCCC3(CCNCC3)CC2)[nH]1
InChIInChI=1S/C15H26N4/c1-13-11-17-14(18-13)12-19-9-2-3-15(6-10-19)4-7-16-8-5-15/h11,16H,2-10,12H2,1H3,(H,17,18)
InChIKeyCDYQDHXKOHUKCA-UHFFFAOYSA-N
XLogP2.07
TPSA43.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

9-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3,9-diazaspiro[5.6]dodecane
CID 74248039
2-(3,9-diazaspiro[5.6]dodecan-9-ylmethyl)-4-methyl-1,3-thiazole;dihydrochloride
CID 154902980
9-[(2-methylpyrazol-3-yl)methyl]-3,9-diazaspiro[5.6]dodecane
CID 131951949
9-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)-3,9-diazaspiro[5.6]dodecane;dihydrochloride
CID 154906451
3-[(2-propylsulfanylpyrimidin-5-yl)methyl]-3,9-diazaspiro[5.5]undecane
CID 56883718
2-chloro-4-(3,9-diazaspiro[5.6]dodecan-9-ylmethyl)phenol;dihydrochloride
CID 154885693
5-(2,8-diazaspiro[4.5]decan-2-ylmethyl)-N,N-dimethylpyrimidin-2-amine;hydrochloride
CID 120907192
2-[(5-methyl-2-pyridinyl)methyl]-2,7-diazaspiro[4.4]nonane
CID 120908225
1-[(5-bromo-1H-imidazol-2-yl)methyl]azepane
CID 117187157
9-(3,3,3-trifluoropropyl)-3,9-diazaspiro[5.6]dodecane;dihydrochloride
CID 154911125
5-(2,8-diazaspiro[4.5]decan-2-ylmethyl)-2-ethyl-1,3-thiazole
CID 120906886
cyclopropyl-[1'-[(5-methyl-1H-imidazol-2-yl)methyl]spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]methanone
CID 72856509

Frequently Asked Questions

What is the IUPAC name of 9-[(5-methyl-1H-imidazol-2-yl)methyl]-3,9-diazaspiro[5.6]dodecane?
The IUPAC name of 9-[(5-methyl-1H-imidazol-2-yl)methyl]-3,9-diazaspiro[5.6]dodecane (CID 77096135) is 9-[(5-methyl-1H-imidazol-2-yl)methyl]-3,9-diazaspiro[5.6]dodecane.
What is the SMILES notation for 9-[(5-methyl-1H-imidazol-2-yl)methyl]-3,9-diazaspiro[5.6]dodecane?
The canonical SMILES for 9-[(5-methyl-1H-imidazol-2-yl)methyl]-3,9-diazaspiro[5.6]dodecane is Cc1cnc(CN2CCCC3(CCNCC3)CC2)[nH]1.
What is the InChIKey of 9-[(5-methyl-1H-imidazol-2-yl)methyl]-3,9-diazaspiro[5.6]dodecane?
The InChIKey is CDYQDHXKOHUKCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4/c1-13-11-17-14(18-13)12-19-9-2-3-15(6-10-19)4-7-16-8-5-15/h11,16H,2-10,12H2,1H3,(H,17,18).
What are the key properties of 9-[(5-methyl-1H-imidazol-2-yl)methyl]-3,9-diazaspiro[5.6]dodecane?
9-[(5-methyl-1H-imidazol-2-yl)methyl]-3,9-diazaspiro[5.6]dodecane has a molecular weight of 262.40 g/mol, XLogP of 2.07, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[(5-methyl-1H-imidazol-2-yl)methyl]-3,9-diazaspiro[5.6]dodecane is sourced from PubChem (CID 77096135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).