1-(1-adamantyl)-N-ethyl-2-(1-methylpyrazol-4-yl)ethanamine

C18H29N3 — CID 62796574

IUPAC1-(1-adamantyl)-N-ethyl-2-(1-methylpyrazol-4-yl)ethanamine
SMILESCCNC(Cc1cnn(C)c1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C18H29N3/c1-3-19-17(7-16-11-20-21(2)12-16)18-8-13-4-14(9-18)6-15(5-13)10-18/h11-15,17,19H,3-10H2,1-2H3
InChIKeyOGRBBXVBTVWGSY-UHFFFAOYSA-N
MW287.45 g/mol
LogP3.16
Rot. Bonds5

About 1-(1-adamantyl)-N-ethyl-2-(1-methylpyrazol-4-yl)ethanamine

1-(1-adamantyl)-N-ethyl-2-(1-methylpyrazol-4-yl)ethanamine (PubChem CID 62796574) has the molecular formula C18H29N3 and a molecular weight of 287.45 g/mol. Its IUPAC name is 1-(1-adamantyl)-N-ethyl-2-(1-methylpyrazol-4-yl)ethanamine.

Molecular Properties

Compound Name1-(1-adamantyl)-N-ethyl-2-(1-methylpyrazol-4-yl)ethanamine
PubChem CID62796574
Molecular FormulaC18H29N3
Molecular Weight287.45 g/mol
Exact Mass287.24
IUPAC Name1-(1-adamantyl)-N-ethyl-2-(1-methylpyrazol-4-yl)ethanamine
SMILESCCNC(Cc1cnn(C)c1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C18H29N3/c1-3-19-17(7-16-11-20-21(2)12-16)18-8-13-4-14(9-18)6-15(5-13)10-18/h11-15,17,19H,3-10H2,1-2H3
InChIKeyOGRBBXVBTVWGSY-UHFFFAOYSA-N
XLogP3.16
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 ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-2-(1-methylpyrazol-4-yl)-1-(1-phenylcyclobutyl)ethanamine
CID 63080063
N-ethyl-3-methyl-1-(1-methylpyrazol-4-yl)hexan-2-amine
CID 115821878
1-(4,4-dimethylcyclohexyl)-N-ethyl-2-(1-methylpyrazol-4-yl)ethanamine
CID 65392430
1-(1-adamantyl)-N-ethyl-2-thiophen-2-ylethanamine
CID 63420269
N-[(1R)-1-(1-adamantyl)propyl]-2-(1-methylpyrazol-4-yl)-2-oxoacetamide
CID 52530427
N-ethyl-1-(5-ethylthiophen-2-yl)-2-(1-methylpyrazol-4-yl)ethanamine
CID 115821661
N-ethyl-1-(1-methylpyrazol-4-yl)-3-thiophen-3-ylpropan-2-amine
CID 105113824
N-ethyl-1-(1-methylpyrazol-4-yl)-3-(oxolan-3-yl)propan-2-amine
CID 113362176
N-ethyl-1-(3-ethylcyclohexyl)-2-(1-methylpyrazol-4-yl)ethanamine
CID 65413948
N-ethyl-2-(1-methylpyrazol-4-yl)-1-thiophen-3-ylethanamine
CID 62126444
N-ethyl-1-(1-methylpyrazol-4-yl)-3-propan-2-yloxypropan-2-amine
CID 105114200
1-(3,5-difluorophenyl)-N-ethyl-3-(1-methylpyrazol-4-yl)propan-2-amine
CID 62125771

Frequently Asked Questions

What is the IUPAC name of 1-(1-adamantyl)-N-ethyl-2-(1-methylpyrazol-4-yl)ethanamine?
The IUPAC name of 1-(1-adamantyl)-N-ethyl-2-(1-methylpyrazol-4-yl)ethanamine (CID 62796574) is 1-(1-adamantyl)-N-ethyl-2-(1-methylpyrazol-4-yl)ethanamine.
What is the SMILES notation for 1-(1-adamantyl)-N-ethyl-2-(1-methylpyrazol-4-yl)ethanamine?
The canonical SMILES for 1-(1-adamantyl)-N-ethyl-2-(1-methylpyrazol-4-yl)ethanamine is CCNC(Cc1cnn(C)c1)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of 1-(1-adamantyl)-N-ethyl-2-(1-methylpyrazol-4-yl)ethanamine?
The InChIKey is OGRBBXVBTVWGSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3/c1-3-19-17(7-16-11-20-21(2)12-16)18-8-13-4-14(9-18)6-15(5-13)10-18/h11-15,17,19H,3-10H2,1-2H3.
What are the key properties of 1-(1-adamantyl)-N-ethyl-2-(1-methylpyrazol-4-yl)ethanamine?
1-(1-adamantyl)-N-ethyl-2-(1-methylpyrazol-4-yl)ethanamine has a molecular weight of 287.45 g/mol, XLogP of 3.16, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-adamantyl)-N-ethyl-2-(1-methylpyrazol-4-yl)ethanamine is sourced from PubChem (CID 62796574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).