N-[(1,3,5-trimethylpyrazol-4-yl)methyl]tricyclo[5.2.1.02,6]decan-8-amine

C17H27N3 — CID 43726679

IUPACN-[(1,3,5-trimethylpyrazol-4-yl)methyl]tricyclo[5.2.1.02,6]decan-8-amine
SMILESCc1nn(C)c(C)c1CNC1CC2CC1C1CCCC21
InChIInChI=1S/C17H27N3/c1-10-16(11(2)20(3)19-10)9-18-17-8-12-7-15(17)14-6-4-5-13(12)14/h12-15,17-18H,4-9H2,1-3H3
InChIKeyRSZKAVFOTVECTC-UHFFFAOYSA-N
MW273.42 g/mol
LogP2.95
Rot. Bonds3

About N-[(1,3,5-trimethylpyrazol-4-yl)methyl]tricyclo[5.2.1.02,6]decan-8-amine

N-[(1,3,5-trimethylpyrazol-4-yl)methyl]tricyclo[5.2.1.02,6]decan-8-amine (PubChem CID 43726679) has the molecular formula C17H27N3 and a molecular weight of 273.42 g/mol. Its IUPAC name is N-[(1,3,5-trimethylpyrazol-4-yl)methyl]tricyclo[5.2.1.02,6]decan-8-amine.

Molecular Properties

Compound NameN-[(1,3,5-trimethylpyrazol-4-yl)methyl]tricyclo[5.2.1.02,6]decan-8-amine
PubChem CID43726679
Molecular FormulaC17H27N3
Molecular Weight273.42 g/mol
Exact Mass273.22
IUPAC NameN-[(1,3,5-trimethylpyrazol-4-yl)methyl]tricyclo[5.2.1.02,6]decan-8-amine
SMILESCc1nn(C)c(C)c1CNC1CC2CC1C1CCCC21
InChIInChI=1S/C17H27N3/c1-10-16(11(2)20(3)19-10)9-18-17-8-12-7-15(17)14-6-4-5-13(12)14/h12-15,17-18H,4-9H2,1-3H3
InChIKeyRSZKAVFOTVECTC-UHFFFAOYSA-N
XLogP2.95
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(1,3,5-trimethylpyrazol-4-yl)methyl]tricyclo[5.2.1.02,6]decan-8-amine?
The IUPAC name of N-[(1,3,5-trimethylpyrazol-4-yl)methyl]tricyclo[5.2.1.02,6]decan-8-amine (CID 43726679) is N-[(1,3,5-trimethylpyrazol-4-yl)methyl]tricyclo[5.2.1.02,6]decan-8-amine.
What is the SMILES notation for N-[(1,3,5-trimethylpyrazol-4-yl)methyl]tricyclo[5.2.1.02,6]decan-8-amine?
The canonical SMILES for N-[(1,3,5-trimethylpyrazol-4-yl)methyl]tricyclo[5.2.1.02,6]decan-8-amine is Cc1nn(C)c(C)c1CNC1CC2CC1C1CCCC21.
What is the InChIKey of N-[(1,3,5-trimethylpyrazol-4-yl)methyl]tricyclo[5.2.1.02,6]decan-8-amine?
The InChIKey is RSZKAVFOTVECTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3/c1-10-16(11(2)20(3)19-10)9-18-17-8-12-7-15(17)14-6-4-5-13(12)14/h12-15,17-18H,4-9H2,1-3H3.
What are the key properties of N-[(1,3,5-trimethylpyrazol-4-yl)methyl]tricyclo[5.2.1.02,6]decan-8-amine?
N-[(1,3,5-trimethylpyrazol-4-yl)methyl]tricyclo[5.2.1.02,6]decan-8-amine has a molecular weight of 273.42 g/mol, XLogP of 2.95, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,3,5-trimethylpyrazol-4-yl)methyl]tricyclo[5.2.1.02,6]decan-8-amine is sourced from PubChem (CID 43726679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).