1-[(5-methyl-1H-imidazol-4-yl)methyl]azocane

C12H21N3 — CID 6456284

IUPAC1-[(5-methyl-1H-imidazol-4-yl)methyl]azocane
SMILESCc1[nH]cnc1CN1CCCCCCC1
InChIInChI=1S/C12H21N3/c1-11-12(14-10-13-11)9-15-7-5-3-2-4-6-8-15/h10H,2-9H2,1H3,(H,13,14)
InChIKeyPSLGZCFOZIYXCU-UHFFFAOYSA-N
MW207.32 g/mol
LogP2.48
Rot. Bonds2

About 1-[(5-methyl-1H-imidazol-4-yl)methyl]azocane

1-[(5-methyl-1H-imidazol-4-yl)methyl]azocane (PubChem CID 6456284) has the molecular formula C12H21N3 and a molecular weight of 207.32 g/mol. Its IUPAC name is 1-[(5-methyl-1H-imidazol-4-yl)methyl]azocane.

Molecular Properties

Compound Name1-[(5-methyl-1H-imidazol-4-yl)methyl]azocane
PubChem CID6456284
Molecular FormulaC12H21N3
Molecular Weight207.32 g/mol
Exact Mass207.17
IUPAC Name1-[(5-methyl-1H-imidazol-4-yl)methyl]azocane
SMILESCc1[nH]cnc1CN1CCCCCCC1
InChIInChI=1S/C12H21N3/c1-11-12(14-10-13-11)9-15-7-5-3-2-4-6-8-15/h10H,2-9H2,1H3,(H,13,14)
InChIKeyPSLGZCFOZIYXCU-UHFFFAOYSA-N
XLogP2.48
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(5-methyl-1H-imidazol-4-yl)methanamine dihydrochloride
CID 20393968
1H,4H,5H,6H-pyrrolo[3,4-d]imidazole dihydrochloride
CID 91759504
3-Hexylpurin-6-amine
CID 135435071
6-octadecylimino-1H-imidazo[4,5-e][1,3]diazepine-4,8-diamine
CID 135939020
1-(5-methyl-1H-imidazol-4-yl)methanamine hydrochloride
CID 56773750
1-methyl-4-[(5-methyl-1H-imidazol-4-yl)methyl]piperazine
CID 3817838
N-[(5-methyl-1H-imidazol-4-yl)methyl]cyclohexanamine
CID 42776872
6-octylimino-1H-imidazo[4,5-e][1,3]diazepine-4,8-diamine
CID 137243599
2,4,5-Tris(dimethylaminomethyl)imidazole
CID 1497411
N-butyl-N-(1H-imidazol-4-ylmethyl)cycloheptanamine
CID 131928643
(4-methyl-1H-imidazol-5-yl)methanamine
CID 20393969
1,4,5,6-Tetrahydropyrrolo[3,4-d]imidazole
CID 45120616

Frequently Asked Questions

What is the IUPAC name of 1-[(5-methyl-1H-imidazol-4-yl)methyl]azocane?
The IUPAC name of 1-[(5-methyl-1H-imidazol-4-yl)methyl]azocane (CID 6456284) is 1-[(5-methyl-1H-imidazol-4-yl)methyl]azocane.
What is the SMILES notation for 1-[(5-methyl-1H-imidazol-4-yl)methyl]azocane?
The canonical SMILES for 1-[(5-methyl-1H-imidazol-4-yl)methyl]azocane is Cc1[nH]cnc1CN1CCCCCCC1.
What is the InChIKey of 1-[(5-methyl-1H-imidazol-4-yl)methyl]azocane?
The InChIKey is PSLGZCFOZIYXCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3/c1-11-12(14-10-13-11)9-15-7-5-3-2-4-6-8-15/h10H,2-9H2,1H3,(H,13,14).
What are the key properties of 1-[(5-methyl-1H-imidazol-4-yl)methyl]azocane?
1-[(5-methyl-1H-imidazol-4-yl)methyl]azocane has a molecular weight of 207.32 g/mol, XLogP of 2.48, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-methyl-1H-imidazol-4-yl)methyl]azocane is sourced from PubChem (CID 6456284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).