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

C18H29N3 — CID 105025270

IUPACN-methyl-1-(3-methyl-1-adamantyl)-2-(1-methylpyrazol-3-yl)ethanamine
SMILESCNC(Cc1ccn(C)n1)C12CC3CC(CC(C)(C3)C1)C2
InChIInChI=1S/C18H29N3/c1-17-8-13-6-14(9-17)11-18(10-13,12-17)16(19-2)7-15-4-5-21(3)20-15/h4-5,13-14,16,19H,6-12H2,1-3H3
InChIKeyRWNZEHAHLHROIM-UHFFFAOYSA-N
MW287.45 g/mol
LogP3.16
Rot. Bonds4

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

N-methyl-1-(3-methyl-1-adamantyl)-2-(1-methylpyrazol-3-yl)ethanamine (PubChem CID 105025270) has the molecular formula C18H29N3 and a molecular weight of 287.45 g/mol. Its IUPAC name is N-methyl-1-(3-methyl-1-adamantyl)-2-(1-methylpyrazol-3-yl)ethanamine.

Molecular Properties

Compound NameN-methyl-1-(3-methyl-1-adamantyl)-2-(1-methylpyrazol-3-yl)ethanamine
PubChem CID105025270
Molecular FormulaC18H29N3
Molecular Weight287.45 g/mol
Exact Mass287.24
IUPAC NameN-methyl-1-(3-methyl-1-adamantyl)-2-(1-methylpyrazol-3-yl)ethanamine
SMILESCNC(Cc1ccn(C)n1)C12CC3CC(CC(C)(C3)C1)C2
InChIInChI=1S/C18H29N3/c1-17-8-13-6-14(9-17)11-18(10-13,12-17)16(19-2)7-15-4-5-21(3)20-15/h4-5,13-14,16,19H,6-12H2,1-3H3
InChIKeyRWNZEHAHLHROIM-UHFFFAOYSA-N
XLogP3.16
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
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-methyl-2-(1-methylpyrazol-3-yl)-1-(2-methylthiolan-2-yl)ethanamine
CID 105175075
1-(1-methoxy-3-methylcyclohexyl)-N-methyl-2-(1-methylpyrazol-3-yl)ethanamine
CID 116767770
N,5-dimethyl-1-(3-methyl-1-adamantyl)hexan-1-amine
CID 105028573
N-methyl-2-(1-methylpyrazol-3-yl)-1-(1-phenylcyclobutyl)ethanamine
CID 82877218
1-(3-methyl-1-adamantyl)-2-(1-methyltriazol-4-yl)ethanol
CID 107065677
[1-(2,2-dimethylcyclopropyl)-2-(1-methylpyrazol-3-yl)ethyl]hydrazine
CID 107005813
N-methyl-1-(3-methyl-1-adamantyl)hex-4-yn-1-amine
CID 105037117
1-(1-ethylimidazol-2-yl)-N-methyl-1-(3-methyl-1-adamantyl)methanamine
CID 115860118
N-methyl-2-(1-methylpyrazol-3-yl)-1-(1-morpholin-4-ylcyclopentyl)ethanamine
CID 82869589
1-(2,2-dimethylcyclopropyl)-N-ethyl-2-(1-methylpyrazol-3-yl)ethanamine
CID 107004877
N,3-dimethyl-1-(1-methylpyrazol-3-yl)butan-2-amine
CID 82877634
1-(1-adamantyl)-2-(furan-3-yl)-N-methylethanamine
CID 83175022

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(3-methyl-1-adamantyl)-2-(1-methylpyrazol-3-yl)ethanamine?
The IUPAC name of N-methyl-1-(3-methyl-1-adamantyl)-2-(1-methylpyrazol-3-yl)ethanamine (CID 105025270) is N-methyl-1-(3-methyl-1-adamantyl)-2-(1-methylpyrazol-3-yl)ethanamine.
What is the SMILES notation for N-methyl-1-(3-methyl-1-adamantyl)-2-(1-methylpyrazol-3-yl)ethanamine?
The canonical SMILES for N-methyl-1-(3-methyl-1-adamantyl)-2-(1-methylpyrazol-3-yl)ethanamine is CNC(Cc1ccn(C)n1)C12CC3CC(CC(C)(C3)C1)C2.
What is the InChIKey of N-methyl-1-(3-methyl-1-adamantyl)-2-(1-methylpyrazol-3-yl)ethanamine?
The InChIKey is RWNZEHAHLHROIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3/c1-17-8-13-6-14(9-17)11-18(10-13,12-17)16(19-2)7-15-4-5-21(3)20-15/h4-5,13-14,16,19H,6-12H2,1-3H3.
What are the key properties of N-methyl-1-(3-methyl-1-adamantyl)-2-(1-methylpyrazol-3-yl)ethanamine?
N-methyl-1-(3-methyl-1-adamantyl)-2-(1-methylpyrazol-3-yl)ethanamine has a molecular weight of 287.45 g/mol, XLogP of 3.16, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(3-methyl-1-adamantyl)-2-(1-methylpyrazol-3-yl)ethanamine is sourced from PubChem (CID 105025270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).