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

C18H32N4 — CID 56708129

IUPAC9-[(2-butyl-1H-imidazol-5-yl)methyl]-3,9-diazaspiro[5.6]dodecane
SMILESCCCCc1ncc(CN2CCCC3(CCNCC3)CC2)[nH]1
InChIInChI=1S/C18H32N4/c1-2-3-5-17-20-14-16(21-17)15-22-12-4-6-18(9-13-22)7-10-19-11-8-18/h14,19H,2-13,15H2,1H3,(H,20,21)
InChIKeyVICGAAGOWHHBKT-UHFFFAOYSA-N
MW304.48 g/mol
LogP3.11
Rot. Bonds5

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

9-[(2-butyl-1H-imidazol-5-yl)methyl]-3,9-diazaspiro[5.6]dodecane (PubChem CID 56708129) has the molecular formula C18H32N4 and a molecular weight of 304.48 g/mol. Its IUPAC name is 9-[(2-butyl-1H-imidazol-5-yl)methyl]-3,9-diazaspiro[5.6]dodecane.

Molecular Properties

Compound Name9-[(2-butyl-1H-imidazol-5-yl)methyl]-3,9-diazaspiro[5.6]dodecane
PubChem CID56708129
Molecular FormulaC18H32N4
Molecular Weight304.48 g/mol
Exact Mass304.26
IUPAC Name9-[(2-butyl-1H-imidazol-5-yl)methyl]-3,9-diazaspiro[5.6]dodecane
SMILESCCCCc1ncc(CN2CCCC3(CCNCC3)CC2)[nH]1
InChIInChI=1S/C18H32N4/c1-2-3-5-17-20-14-16(21-17)15-22-12-4-6-18(9-13-22)7-10-19-11-8-18/h14,19H,2-13,15H2,1H3,(H,20,21)
InChIKeyVICGAAGOWHHBKT-UHFFFAOYSA-N
XLogP3.11
TPSA43.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.48
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-{1-[(2-Methyl-1H-imidazol-4-YL)methyl]piperidin-3-YL}ethyl)methanesulfonamide
CID 56745535
1-(Cyclopropylmethyl)-4-(1H-imidazol-4-ylmethyl)-2-isopropyl-1,4-diazepane
CID 56872195
3-[(5-methyl-1-propyl-1H-imidazol-2-yl)methyl]piperidine
CID 86820590
1-(1H-imidazol-4-ylmethyl)-4-[1-(1-pyrrolidinyl)ethyl]piperidine
CID 70717894
(4S)-1-(1H-imidazol-4-ylmethyl)-3,3,4-trimethyl-4-piperidinol
CID 72866596
1-(3,5-dimethylpiperidin-1-yl)-N-[(3-methylimidazol-4-yl)methyl]propan-2-amine
CID 119110237
(3S)-1-[(2-butyl-1H-imidazol-5-yl)methyl]-3-methylpiperidine-3-carbonitrile
CID 129614262
(1R*,5R*)-6-[(2-butyl-1H-imidazol-4-yl)methyl]-N,N-dimethyl-3,6-diazabicyclo[3.2.2]nonane-3-sulfonamide
CID 133122776
3-[fluoro(1H-imidazol-5-yl)methyl]-3-azaspiro[5.5]undecane
CID 67009950
3-[[5-(fluoromethyl)-1H-imidazol-2-yl]methyl]piperidine
CID 84774522
N-[[2-(3,3-difluorocyclohexyl)-1H-imidazol-5-yl]methyl]propan-1-amine
CID 114216580
(4R)-3,3-difluoro-1-(1H-imidazol-5-ylmethyl)-4-methylpiperidine
CID 124292263

Frequently Asked Questions

What is the IUPAC name of 9-[(2-butyl-1H-imidazol-5-yl)methyl]-3,9-diazaspiro[5.6]dodecane?
The IUPAC name of 9-[(2-butyl-1H-imidazol-5-yl)methyl]-3,9-diazaspiro[5.6]dodecane (CID 56708129) is 9-[(2-butyl-1H-imidazol-5-yl)methyl]-3,9-diazaspiro[5.6]dodecane.
What is the SMILES notation for 9-[(2-butyl-1H-imidazol-5-yl)methyl]-3,9-diazaspiro[5.6]dodecane?
The canonical SMILES for 9-[(2-butyl-1H-imidazol-5-yl)methyl]-3,9-diazaspiro[5.6]dodecane is CCCCc1ncc(CN2CCCC3(CCNCC3)CC2)[nH]1.
What is the InChIKey of 9-[(2-butyl-1H-imidazol-5-yl)methyl]-3,9-diazaspiro[5.6]dodecane?
The InChIKey is VICGAAGOWHHBKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N4/c1-2-3-5-17-20-14-16(21-17)15-22-12-4-6-18(9-13-22)7-10-19-11-8-18/h14,19H,2-13,15H2,1H3,(H,20,21).
What are the key properties of 9-[(2-butyl-1H-imidazol-5-yl)methyl]-3,9-diazaspiro[5.6]dodecane?
9-[(2-butyl-1H-imidazol-5-yl)methyl]-3,9-diazaspiro[5.6]dodecane has a molecular weight of 304.48 g/mol, XLogP of 3.11, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[(2-butyl-1H-imidazol-5-yl)methyl]-3,9-diazaspiro[5.6]dodecane is sourced from PubChem (CID 56708129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).