(1-imidazol-1-ylcyclooctyl)methanamine

C12H21N3 — CID 82507469

IUPAC(1-imidazol-1-ylcyclooctyl)methanamine
SMILESNCC1(n2ccnc2)CCCCCCC1
InChIInChI=1S/C12H21N3/c13-10-12(15-9-8-14-11-15)6-4-2-1-3-5-7-12/h8-9,11H,1-7,10,13H2
InChIKeyPDJYQIFYOJZLIU-UHFFFAOYSA-N
MW207.32 g/mol
LogP2.28
Rot. Bonds2

About (1-imidazol-1-ylcyclooctyl)methanamine

(1-imidazol-1-ylcyclooctyl)methanamine (PubChem CID 82507469) has the molecular formula C12H21N3 and a molecular weight of 207.32 g/mol. Its IUPAC name is (1-imidazol-1-ylcyclooctyl)methanamine.

Molecular Properties

Compound Name(1-imidazol-1-ylcyclooctyl)methanamine
PubChem CID82507469
Molecular FormulaC12H21N3
Molecular Weight207.32 g/mol
Exact Mass207.17
IUPAC Name(1-imidazol-1-ylcyclooctyl)methanamine
SMILESNCC1(n2ccnc2)CCCCCCC1
InChIInChI=1S/C12H21N3/c13-10-12(15-9-8-14-11-15)6-4-2-1-3-5-7-12/h8-9,11H,1-7,10,13H2
InChIKeyPDJYQIFYOJZLIU-UHFFFAOYSA-N
XLogP2.28
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-imidazol-1-ylcyclooctane-1-carboxylic acid
CID 82235123
(1-pyrrol-1-ylcyclopropyl)methanamine
CID 121207461
1-(1-dodecyl-3-methylcyclohexyl)imidazole
CID 175343147
(1-piperidin-1-ylcycloheptyl)methanamine
CID 24703148
1-(2-methyl-1,3-dioxolan-2-yl)imidazole
CID 66688291
(1-piperidin-1-ylcyclohexyl)methanamine;hydrochloride
CID 66570693
1-(aminomethyl)-N-ethyl-N-(2-pyrazol-1-ylethyl)cycloheptan-1-amine
CID 62010529
1-(1-adamantyl)imidazole;hydroiodide
CID 175044894
1-(1-imidazol-1-ylcyclohexyl)benzotriazole
CID 3276924
[1-(4-bromopyrazol-1-yl)cyclohexyl]methanamine
CID 84738155
4-(1-imidazol-1-ylcyclopentyl)benzonitrile
CID 14231162
1-(1-oxaspiro[4.5]decan-2-ylmethyl)imidazole
CID 102846457

Frequently Asked Questions

What is the IUPAC name of (1-imidazol-1-ylcyclooctyl)methanamine?
The IUPAC name of (1-imidazol-1-ylcyclooctyl)methanamine (CID 82507469) is (1-imidazol-1-ylcyclooctyl)methanamine.
What is the SMILES notation for (1-imidazol-1-ylcyclooctyl)methanamine?
The canonical SMILES for (1-imidazol-1-ylcyclooctyl)methanamine is NCC1(n2ccnc2)CCCCCCC1.
What is the InChIKey of (1-imidazol-1-ylcyclooctyl)methanamine?
The InChIKey is PDJYQIFYOJZLIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3/c13-10-12(15-9-8-14-11-15)6-4-2-1-3-5-7-12/h8-9,11H,1-7,10,13H2.
What are the key properties of (1-imidazol-1-ylcyclooctyl)methanamine?
(1-imidazol-1-ylcyclooctyl)methanamine has a molecular weight of 207.32 g/mol, XLogP of 2.28, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-imidazol-1-ylcyclooctyl)methanamine is sourced from PubChem (CID 82507469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).