10-methyl-3-[(1-propylimidazol-2-yl)methyl]-3,10-diazaspiro[5.6]dodecane

C18H32N4 — CID 56755164

IUPAC10-methyl-3-[(1-propylimidazol-2-yl)methyl]-3,10-diazaspiro[5.6]dodecane
SMILESCCCn1ccnc1CN1CCC2(CCCN(C)CC2)CC1
InChIInChI=1S/C18H32N4/c1-3-10-22-15-9-19-17(22)16-21-13-7-18(8-14-21)5-4-11-20(2)12-6-18/h9,15H,3-8,10-14,16H2,1-2H3
InChIKeyXUIYNHMIDPMGAZ-UHFFFAOYSA-N
MW304.48 g/mol
LogP2.99
Rot. Bonds4

About 10-methyl-3-[(1-propylimidazol-2-yl)methyl]-3,10-diazaspiro[5.6]dodecane

10-methyl-3-[(1-propylimidazol-2-yl)methyl]-3,10-diazaspiro[5.6]dodecane (PubChem CID 56755164) has the molecular formula C18H32N4 and a molecular weight of 304.48 g/mol. Its IUPAC name is 10-methyl-3-[(1-propylimidazol-2-yl)methyl]-3,10-diazaspiro[5.6]dodecane.

Molecular Properties

Compound Name10-methyl-3-[(1-propylimidazol-2-yl)methyl]-3,10-diazaspiro[5.6]dodecane
PubChem CID56755164
Molecular FormulaC18H32N4
Molecular Weight304.48 g/mol
Exact Mass304.26
IUPAC Name10-methyl-3-[(1-propylimidazol-2-yl)methyl]-3,10-diazaspiro[5.6]dodecane
SMILESCCCn1ccnc1CN1CCC2(CCCN(C)CC2)CC1
InChIInChI=1S/C18H32N4/c1-3-10-22-15-9-19-17(22)16-21-13-7-18(8-14-21)5-4-11-20(2)12-6-18/h9,15H,3-8,10-14,16H2,1-2H3
InChIKeyXUIYNHMIDPMGAZ-UHFFFAOYSA-N
XLogP2.99
TPSA24.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.48
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(1-methyl-1H-imidazol-2-yl)methyl]piperidine
CID 63975807
N,N-dimethyl-1-[1-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]piperidin-4-yl]methanamine
CID 56788085
4-[2-(2-Methylimidazol-1-yl)ethyl]-1-propan-2-ylpiperidine
CID 95827895
N,N-dimethyl-2-[8-[(1-methylimidazol-2-yl)methyl]-1,8-diazaspiro[4.5]decan-1-yl]ethanamine
CID 97396895
1-ethyl-2-{[(S)-2-methyl-1-piperidyl]methyl}imidazole
CID 99844682
(2-azepan-1-ylethyl)ethyl[(1-methyl-1H-imidazol-2-yl)methyl]amine
CID 46982644
4-Methyl-1-[2-(2-propan-2-ylimidazol-1-yl)ethyl]piperidine
CID 75451217
N,3,3-trimethyl-N-[(1-methylimidazol-2-yl)methyl]butan-1-amine
CID 75485195
(cyclohexylmethyl)methyl[3-(1-methyl-1H-imidazol-2-yl)propyl]amine
CID 77090522
(3-azepan-1-ylpropyl)[(1-isopropyl-1H-imidazol-2-yl)methyl]methylamine
CID 91761698
3-[3-(2-methyl-1H-imidazol-1-yl)propyl]-3-azabicyclo[3.2.1]octan-8-amine
CID 91831219
4-Methyl-1-[2-(1-methylimidazol-2-yl)ethyl]piperidine-4-carbonitrile
CID 107160803

Frequently Asked Questions

What is the IUPAC name of 10-methyl-3-[(1-propylimidazol-2-yl)methyl]-3,10-diazaspiro[5.6]dodecane?
The IUPAC name of 10-methyl-3-[(1-propylimidazol-2-yl)methyl]-3,10-diazaspiro[5.6]dodecane (CID 56755164) is 10-methyl-3-[(1-propylimidazol-2-yl)methyl]-3,10-diazaspiro[5.6]dodecane.
What is the SMILES notation for 10-methyl-3-[(1-propylimidazol-2-yl)methyl]-3,10-diazaspiro[5.6]dodecane?
The canonical SMILES for 10-methyl-3-[(1-propylimidazol-2-yl)methyl]-3,10-diazaspiro[5.6]dodecane is CCCn1ccnc1CN1CCC2(CCCN(C)CC2)CC1.
What is the InChIKey of 10-methyl-3-[(1-propylimidazol-2-yl)methyl]-3,10-diazaspiro[5.6]dodecane?
The InChIKey is XUIYNHMIDPMGAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N4/c1-3-10-22-15-9-19-17(22)16-21-13-7-18(8-14-21)5-4-11-20(2)12-6-18/h9,15H,3-8,10-14,16H2,1-2H3.
What are the key properties of 10-methyl-3-[(1-propylimidazol-2-yl)methyl]-3,10-diazaspiro[5.6]dodecane?
10-methyl-3-[(1-propylimidazol-2-yl)methyl]-3,10-diazaspiro[5.6]dodecane has a molecular weight of 304.48 g/mol, XLogP of 2.99, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10-methyl-3-[(1-propylimidazol-2-yl)methyl]-3,10-diazaspiro[5.6]dodecane is sourced from PubChem (CID 56755164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).