ethoxy(1-tricyclo[3.3.1.03,7]nonanyl)methanamine

C12H21NO — CID 163739415

IUPACethoxy(1-tricyclo[3.3.1.03,7]nonanyl)methanamine
SMILESCCOC(N)C12CC3CC(C1)C(C3)C2
InChIInChI=1S/C12H21NO/c1-2-14-11(13)12-5-8-3-9(6-12)10(4-8)7-12/h8-11H,2-7,13H2,1H3
InChIKeyLGLRJQVDBGBXPS-UHFFFAOYSA-N
MW195.31 g/mol
LogP2.13
Rot. Bonds3

About ethoxy(1-tricyclo[3.3.1.03,7]nonanyl)methanamine

ethoxy(1-tricyclo[3.3.1.03,7]nonanyl)methanamine (PubChem CID 163739415) has the molecular formula C12H21NO and a molecular weight of 195.31 g/mol. Its IUPAC name is ethoxy(1-tricyclo[3.3.1.03,7]nonanyl)methanamine.

Molecular Properties

Compound Nameethoxy(1-tricyclo[3.3.1.03,7]nonanyl)methanamine
PubChem CID163739415
Molecular FormulaC12H21NO
Molecular Weight195.31 g/mol
Exact Mass195.16
IUPAC Nameethoxy(1-tricyclo[3.3.1.03,7]nonanyl)methanamine
SMILESCCOC(N)C12CC3CC(C1)C(C3)C2
InChIInChI=1S/C12H21NO/c1-2-14-11(13)12-5-8-3-9(6-12)10(4-8)7-12/h8-11H,2-7,13H2,1H3
InChIKeyLGLRJQVDBGBXPS-UHFFFAOYSA-N
XLogP2.13
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

ethyl (2R)-2-(1-adamantyl)-2-aminoacetate
CID 124669862
2-[1-(1-tricyclo[3.3.1.03,7]nonanyl)ethoxy]ethyl acetate
CID 163518228
ethyl 3-(1-adamantyl)-3-ethoxypropanoate
CID 57132141
(1R)-1-(1-adamantyl)ethanamine
CID 7048786
1-(1-chloropropyl)adamantane
CID 89114762
5-(1-amino-1,2,2,2-tetradeuterioethyl)adamantan-2-ol
CID 131845796
1-(1-adamantyl)-2-(4-methylpentan-2-yloxy)ethanamine
CID 43105658
1-(1-adamantyl)-N-ethyl-2-methylsulfinylethanamine
CID 64656628
1-[(4-butan-2-ylphenoxy)-ethoxymethyl]adamantane
CID 89398620
1-(1-adamantyl)-2,2-dimethylpropan-1-amine
CID 12619343
1-ethoxy-4-methyladamantane
CID 141189891
cyclopropane;diethoxymethanamine
CID 67531002

Frequently Asked Questions

What is the IUPAC name of ethoxy(1-tricyclo[3.3.1.03,7]nonanyl)methanamine?
The IUPAC name of ethoxy(1-tricyclo[3.3.1.03,7]nonanyl)methanamine (CID 163739415) is ethoxy(1-tricyclo[3.3.1.03,7]nonanyl)methanamine.
What is the SMILES notation for ethoxy(1-tricyclo[3.3.1.03,7]nonanyl)methanamine?
The canonical SMILES for ethoxy(1-tricyclo[3.3.1.03,7]nonanyl)methanamine is CCOC(N)C12CC3CC(C1)C(C3)C2.
What is the InChIKey of ethoxy(1-tricyclo[3.3.1.03,7]nonanyl)methanamine?
The InChIKey is LGLRJQVDBGBXPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO/c1-2-14-11(13)12-5-8-3-9(6-12)10(4-8)7-12/h8-11H,2-7,13H2,1H3.
What are the key properties of ethoxy(1-tricyclo[3.3.1.03,7]nonanyl)methanamine?
ethoxy(1-tricyclo[3.3.1.03,7]nonanyl)methanamine has a molecular weight of 195.31 g/mol, XLogP of 2.13, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethoxy(1-tricyclo[3.3.1.03,7]nonanyl)methanamine is sourced from PubChem (CID 163739415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).