1-(2-adamantyl)-N-ethyl-2-(1-methylpyrazol-3-yl)ethanamine

C18H29N3 — CID 105025491

IUPAC1-(2-adamantyl)-N-ethyl-2-(1-methylpyrazol-3-yl)ethanamine
SMILESCCNC(Cc1ccn(C)n1)C1C2CC3CC(C2)CC1C3
InChIInChI=1S/C18H29N3/c1-3-19-17(11-16-4-5-21(2)20-16)18-14-7-12-6-13(9-14)10-15(18)8-12/h4-5,12-15,17-19H,3,6-11H2,1-2H3
InChIKeyPLOXEONYOWKRAI-UHFFFAOYSA-N
MW287.45 g/mol
LogP3.01
Rot. Bonds5

About 1-(2-adamantyl)-N-ethyl-2-(1-methylpyrazol-3-yl)ethanamine

1-(2-adamantyl)-N-ethyl-2-(1-methylpyrazol-3-yl)ethanamine (PubChem CID 105025491) has the molecular formula C18H29N3 and a molecular weight of 287.45 g/mol. Its IUPAC name is 1-(2-adamantyl)-N-ethyl-2-(1-methylpyrazol-3-yl)ethanamine.

Molecular Properties

Compound Name1-(2-adamantyl)-N-ethyl-2-(1-methylpyrazol-3-yl)ethanamine
PubChem CID105025491
Molecular FormulaC18H29N3
Molecular Weight287.45 g/mol
Exact Mass287.24
IUPAC Name1-(2-adamantyl)-N-ethyl-2-(1-methylpyrazol-3-yl)ethanamine
SMILESCCNC(Cc1ccn(C)n1)C1C2CC3CC(C2)CC1C3
InChIInChI=1S/C18H29N3/c1-3-19-17(11-16-4-5-21(2)20-16)18-14-7-12-6-13(9-14)10-15(18)8-12/h4-5,12-15,17-19H,3,6-11H2,1-2H3
InChIKeyPLOXEONYOWKRAI-UHFFFAOYSA-N
XLogP3.01
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.45
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,2-dimethylcyclopropyl)-N-ethyl-2-(1-methylpyrazol-3-yl)ethanamine
CID 107004877
1-(2,3-dihydro-1H-inden-1-yl)-N-ethyl-2-(1-methylpyrazol-3-yl)ethanamine
CID 82878113
1-(2-adamantyl)-N-ethyl-2-(2-methyl-1,3-thiazol-4-yl)ethanamine
CID 104997094
N-ethyl-2-(1-methylpyrazol-3-yl)-1-[4-(trifluoromethyl)cyclohexyl]ethanamine
CID 105175019
N-ethyl-2-(1-methylpyrazol-3-yl)-1-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanamine
CID 82868525
1-cyclopropyl-N-ethyl-3-(1-methylpyrazol-3-yl)propan-2-amine
CID 82876237
1-(2-adamantyl)-N-ethyl-2-(furan-2-yl)ethanamine
CID 105029389
1-(2-adamantyl)-N-ethyl-2-thiophen-3-ylethanamine
CID 81098396
N-ethyl-1,2-bis(1-methylpyrazol-3-yl)ethanamine
CID 82878256
4-ethoxy-N-ethyl-1-(1-methylpyrazol-3-yl)butan-2-amine
CID 105175167
N-[1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-2-(1-methylpyrazol-3-yl)ethyl]propan-1-amine
CID 115998309
1-cyclopropyl-1-ethoxy-N-ethyl-3-(1-methylpyrazol-3-yl)propan-2-amine
CID 116723587

Frequently Asked Questions

What is the IUPAC name of 1-(2-adamantyl)-N-ethyl-2-(1-methylpyrazol-3-yl)ethanamine?
The IUPAC name of 1-(2-adamantyl)-N-ethyl-2-(1-methylpyrazol-3-yl)ethanamine (CID 105025491) is 1-(2-adamantyl)-N-ethyl-2-(1-methylpyrazol-3-yl)ethanamine.
What is the SMILES notation for 1-(2-adamantyl)-N-ethyl-2-(1-methylpyrazol-3-yl)ethanamine?
The canonical SMILES for 1-(2-adamantyl)-N-ethyl-2-(1-methylpyrazol-3-yl)ethanamine is CCNC(Cc1ccn(C)n1)C1C2CC3CC(C2)CC1C3.
What is the InChIKey of 1-(2-adamantyl)-N-ethyl-2-(1-methylpyrazol-3-yl)ethanamine?
The InChIKey is PLOXEONYOWKRAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3/c1-3-19-17(11-16-4-5-21(2)20-16)18-14-7-12-6-13(9-14)10-15(18)8-12/h4-5,12-15,17-19H,3,6-11H2,1-2H3.
What are the key properties of 1-(2-adamantyl)-N-ethyl-2-(1-methylpyrazol-3-yl)ethanamine?
1-(2-adamantyl)-N-ethyl-2-(1-methylpyrazol-3-yl)ethanamine has a molecular weight of 287.45 g/mol, XLogP of 3.01, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-adamantyl)-N-ethyl-2-(1-methylpyrazol-3-yl)ethanamine is sourced from PubChem (CID 105025491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).