(3,5-dimethyl-1-adamantyl)-(1-ethylpyrazol-4-yl)methanamine

C18H29N3 — CID 79995661

IUPAC(3,5-dimethyl-1-adamantyl)-(1-ethylpyrazol-4-yl)methanamine
SMILESCCn1cc(C(N)C23CC4CC(C)(CC(C)(C4)C2)C3)cn1
InChIInChI=1S/C18H29N3/c1-4-21-9-14(8-20-21)15(19)18-7-13-5-16(2,11-18)10-17(3,6-13)12-18/h8-9,13,15H,4-7,10-12,19H2,1-3H3
InChIKeyIZROQDXXGMFNNO-UHFFFAOYSA-N
MW287.45 g/mol
LogP3.90
Rot. Bonds3

About (3,5-dimethyl-1-adamantyl)-(1-ethylpyrazol-4-yl)methanamine

(3,5-dimethyl-1-adamantyl)-(1-ethylpyrazol-4-yl)methanamine (PubChem CID 79995661) has the molecular formula C18H29N3 and a molecular weight of 287.45 g/mol. Its IUPAC name is (3,5-dimethyl-1-adamantyl)-(1-ethylpyrazol-4-yl)methanamine.

Molecular Properties

Compound Name(3,5-dimethyl-1-adamantyl)-(1-ethylpyrazol-4-yl)methanamine
PubChem CID79995661
Molecular FormulaC18H29N3
Molecular Weight287.45 g/mol
Exact Mass287.24
IUPAC Name(3,5-dimethyl-1-adamantyl)-(1-ethylpyrazol-4-yl)methanamine
SMILESCCn1cc(C(N)C23CC4CC(C)(CC(C)(C4)C2)C3)cn1
InChIInChI=1S/C18H29N3/c1-4-21-9-14(8-20-21)15(19)18-7-13-5-16(2,11-18)10-17(3,6-13)12-18/h8-9,13,15H,4-7,10-12,19H2,1-3H3
InChIKeyIZROQDXXGMFNNO-UHFFFAOYSA-N
XLogP3.90
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.45
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3,5-dimethyl-1-adamantyl)-(1-ethylpyrazol-4-yl)methanone
CID 79994662
(1-ethylpyrazol-4-yl)-spiro[2.2]pentan-2-ylmethanamine
CID 164650799
(3R,5R)-N-[(1-ethylpyrazol-4-yl)methyl]-3,5-dimethyladamantane-1-carboxamide
CID 98331377
[(2,2-dimethylcyclopropyl)-(1-ethylpyrazol-4-yl)methyl]hydrazine
CID 107005582
(1-ethylpyrazol-4-yl)-(1-phenylcyclobutyl)methanamine
CID 55182305
(1-ethylpyrazol-4-yl)-(1-phenylcyclopentyl)methanamine
CID 63079220
1-(1-ethylpyrazol-4-yl)pentan-1-amine
CID 79412573
cyclooctyl-(1-ethylpyrazol-4-yl)methanamine
CID 80603190
1-(2,2-dimethylcyclopropyl)-2-(1-ethylpyrazol-4-yl)ethanamine
CID 107004225
(4,5-dibromothiophen-2-yl)-(3,5-dimethyl-1-adamantyl)methanamine
CID 80533489
(3,5-dimethyl-1-adamantyl)-(3-methylthiophen-2-yl)methanamine
CID 79999933
2-cyclopentyl-1-(1-ethylpyrazol-4-yl)ethanamine
CID 115816159

Frequently Asked Questions

What is the IUPAC name of (3,5-dimethyl-1-adamantyl)-(1-ethylpyrazol-4-yl)methanamine?
The IUPAC name of (3,5-dimethyl-1-adamantyl)-(1-ethylpyrazol-4-yl)methanamine (CID 79995661) is (3,5-dimethyl-1-adamantyl)-(1-ethylpyrazol-4-yl)methanamine.
What is the SMILES notation for (3,5-dimethyl-1-adamantyl)-(1-ethylpyrazol-4-yl)methanamine?
The canonical SMILES for (3,5-dimethyl-1-adamantyl)-(1-ethylpyrazol-4-yl)methanamine is CCn1cc(C(N)C23CC4CC(C)(CC(C)(C4)C2)C3)cn1.
What is the InChIKey of (3,5-dimethyl-1-adamantyl)-(1-ethylpyrazol-4-yl)methanamine?
The InChIKey is IZROQDXXGMFNNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3/c1-4-21-9-14(8-20-21)15(19)18-7-13-5-16(2,11-18)10-17(3,6-13)12-18/h8-9,13,15H,4-7,10-12,19H2,1-3H3.
What are the key properties of (3,5-dimethyl-1-adamantyl)-(1-ethylpyrazol-4-yl)methanamine?
(3,5-dimethyl-1-adamantyl)-(1-ethylpyrazol-4-yl)methanamine has a molecular weight of 287.45 g/mol, XLogP of 3.90, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethyl-1-adamantyl)-(1-ethylpyrazol-4-yl)methanamine is sourced from PubChem (CID 79995661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).