8-[(1-methylpyrazol-3-yl)methyl]tricyclo[5.2.1.02,6]decan-8-amine

C15H23N3 — CID 82870102

IUPAC8-[(1-methylpyrazol-3-yl)methyl]tricyclo[5.2.1.02,6]decan-8-amine
SMILESCn1ccc(CC2(N)CC3CC2C2CCCC32)n1
InChIInChI=1S/C15H23N3/c1-18-6-5-11(17-18)9-15(16)8-10-7-14(15)13-4-2-3-12(10)13/h5-6,10,12-14H,2-4,7-9,16H2,1H3
InChIKeyXNVWLKGEVSKQMZ-UHFFFAOYSA-N
MW245.37 g/mol
LogP2.12
Rot. Bonds2

About 8-[(1-methylpyrazol-3-yl)methyl]tricyclo[5.2.1.02,6]decan-8-amine

8-[(1-methylpyrazol-3-yl)methyl]tricyclo[5.2.1.02,6]decan-8-amine (PubChem CID 82870102) has the molecular formula C15H23N3 and a molecular weight of 245.37 g/mol. Its IUPAC name is 8-[(1-methylpyrazol-3-yl)methyl]tricyclo[5.2.1.02,6]decan-8-amine.

Molecular Properties

Compound Name8-[(1-methylpyrazol-3-yl)methyl]tricyclo[5.2.1.02,6]decan-8-amine
PubChem CID82870102
Molecular FormulaC15H23N3
Molecular Weight245.37 g/mol
Exact Mass245.19
IUPAC Name8-[(1-methylpyrazol-3-yl)methyl]tricyclo[5.2.1.02,6]decan-8-amine
SMILESCn1ccc(CC2(N)CC3CC2C2CCCC32)n1
InChIInChI=1S/C15H23N3/c1-18-6-5-11(17-18)9-15(16)8-10-7-14(15)13-4-2-3-12(10)13/h5-6,10,12-14H,2-4,7-9,16H2,1H3
InChIKeyXNVWLKGEVSKQMZ-UHFFFAOYSA-N
XLogP2.12
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

8-(1-methylpyrazol-3-yl)tricyclo[5.2.1.02,6]decan-8-ol
CID 103130067
8-[(4-chlorophenyl)methyl]tricyclo[5.2.1.02,6]decan-8-amine
CID 60798618
8-[(1-butan-2-ylpyrazol-3-yl)methyl]tricyclo[5.2.1.02,6]decan-8-ol
CID 64784443
2-tert-butyl-1-[(1-methylpyrazol-3-yl)methyl]cyclohexan-1-amine
CID 82869975
[3-methyl-1-[(1-methylpyrazol-3-yl)methyl]cyclopentyl]methanamine
CID 82871482
3-amino-1-[(1-methylpyrazol-3-yl)methyl]cyclobutan-1-ol
CID 82868484
2,2-dimethyl-1-[(1-methylpyrazol-3-yl)methyl]cyclopentan-1-amine
CID 82869007
2-cyclohexyl-1-[(1-methylpyrazol-3-yl)methyl]cyclohexan-1-ol
CID 82869673
2-(aminomethyl)-2-[(1-methylpyrazol-3-yl)methyl]cyclohexan-1-ol
CID 82870793
[1-[(1-methylpyrazol-3-yl)methyl]cyclobutyl]methanamine
CID 82871669
2-[(1-cyclopentylpyrazol-3-yl)methyl]-7-oxabicyclo[2.2.1]heptan-2-amine
CID 65420740
1-[(1-methylpyrazol-3-yl)methyl]cyclobutan-1-ol
CID 82870094

Frequently Asked Questions

What is the IUPAC name of 8-[(1-methylpyrazol-3-yl)methyl]tricyclo[5.2.1.02,6]decan-8-amine?
The IUPAC name of 8-[(1-methylpyrazol-3-yl)methyl]tricyclo[5.2.1.02,6]decan-8-amine (CID 82870102) is 8-[(1-methylpyrazol-3-yl)methyl]tricyclo[5.2.1.02,6]decan-8-amine.
What is the SMILES notation for 8-[(1-methylpyrazol-3-yl)methyl]tricyclo[5.2.1.02,6]decan-8-amine?
The canonical SMILES for 8-[(1-methylpyrazol-3-yl)methyl]tricyclo[5.2.1.02,6]decan-8-amine is Cn1ccc(CC2(N)CC3CC2C2CCCC32)n1.
What is the InChIKey of 8-[(1-methylpyrazol-3-yl)methyl]tricyclo[5.2.1.02,6]decan-8-amine?
The InChIKey is XNVWLKGEVSKQMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3/c1-18-6-5-11(17-18)9-15(16)8-10-7-14(15)13-4-2-3-12(10)13/h5-6,10,12-14H,2-4,7-9,16H2,1H3.
What are the key properties of 8-[(1-methylpyrazol-3-yl)methyl]tricyclo[5.2.1.02,6]decan-8-amine?
8-[(1-methylpyrazol-3-yl)methyl]tricyclo[5.2.1.02,6]decan-8-amine has a molecular weight of 245.37 g/mol, XLogP of 2.12, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(1-methylpyrazol-3-yl)methyl]tricyclo[5.2.1.02,6]decan-8-amine is sourced from PubChem (CID 82870102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).