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

C16H25N3 — CID 43726759

IUPACN-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]tricyclo[5.2.1.02,6]decan-8-amine
SMILESCc1n[nH]c(C)c1CNC1CC2CC1C1CCCC21
InChIInChI=1S/C16H25N3/c1-9-15(10(2)19-18-9)8-17-16-7-11-6-14(16)13-5-3-4-12(11)13/h11-14,16-17H,3-8H2,1-2H3,(H,18,19)
InChIKeyZZVWUBITXSWZQZ-UHFFFAOYSA-N
MW259.40 g/mol
LogP2.94
Rot. Bonds3

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

N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]tricyclo[5.2.1.02,6]decan-8-amine (PubChem CID 43726759) has the molecular formula C16H25N3 and a molecular weight of 259.40 g/mol. Its IUPAC name is N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]tricyclo[5.2.1.02,6]decan-8-amine.

Molecular Properties

Compound NameN-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]tricyclo[5.2.1.02,6]decan-8-amine
PubChem CID43726759
Molecular FormulaC16H25N3
Molecular Weight259.40 g/mol
Exact Mass259.20
IUPAC NameN-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]tricyclo[5.2.1.02,6]decan-8-amine
SMILESCc1n[nH]c(C)c1CNC1CC2CC1C1CCCC21
InChIInChI=1S/C16H25N3/c1-9-15(10(2)19-18-9)8-17-16-7-11-6-14(16)13-5-3-4-12(11)13/h11-14,16-17H,3-8H2,1-2H3,(H,18,19)
InChIKeyZZVWUBITXSWZQZ-UHFFFAOYSA-N
XLogP2.94
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.40
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]tricyclo[5.2.1.02,6]decan-8-amine?
The IUPAC name of N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]tricyclo[5.2.1.02,6]decan-8-amine (CID 43726759) is N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]tricyclo[5.2.1.02,6]decan-8-amine.
What is the SMILES notation for N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]tricyclo[5.2.1.02,6]decan-8-amine?
The canonical SMILES for N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]tricyclo[5.2.1.02,6]decan-8-amine is Cc1n[nH]c(C)c1CNC1CC2CC1C1CCCC21.
What is the InChIKey of N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]tricyclo[5.2.1.02,6]decan-8-amine?
The InChIKey is ZZVWUBITXSWZQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3/c1-9-15(10(2)19-18-9)8-17-16-7-11-6-14(16)13-5-3-4-12(11)13/h11-14,16-17H,3-8H2,1-2H3,(H,18,19).
What are the key properties of N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]tricyclo[5.2.1.02,6]decan-8-amine?
N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]tricyclo[5.2.1.02,6]decan-8-amine has a molecular weight of 259.40 g/mol, XLogP of 2.94, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]tricyclo[5.2.1.02,6]decan-8-amine is sourced from PubChem (CID 43726759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).