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

C14H22N4 — CID 62756684

IUPACN-[(1-methyltriazol-4-yl)methyl]tricyclo[5.2.1.02,6]decan-8-amine
SMILESCn1cc(CNC2CC3CC2C2CCCC32)nn1
InChIInChI=1S/C14H22N4/c1-18-8-10(16-17-18)7-15-14-6-9-5-13(14)12-4-2-3-11(9)12/h8-9,11-15H,2-7H2,1H3
InChIKeyZLSSXMWSEOJEGJ-UHFFFAOYSA-N
MW246.36 g/mol
LogP1.73
Rot. Bonds3

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

N-[(1-methyltriazol-4-yl)methyl]tricyclo[5.2.1.02,6]decan-8-amine (PubChem CID 62756684) has the molecular formula C14H22N4 and a molecular weight of 246.36 g/mol. Its IUPAC name is N-[(1-methyltriazol-4-yl)methyl]tricyclo[5.2.1.02,6]decan-8-amine.

Molecular Properties

Compound NameN-[(1-methyltriazol-4-yl)methyl]tricyclo[5.2.1.02,6]decan-8-amine
PubChem CID62756684
Molecular FormulaC14H22N4
Molecular Weight246.36 g/mol
Exact Mass246.18
IUPAC NameN-[(1-methyltriazol-4-yl)methyl]tricyclo[5.2.1.02,6]decan-8-amine
SMILESCn1cc(CNC2CC3CC2C2CCCC32)nn1
InChIInChI=1S/C14H22N4/c1-18-8-10(16-17-18)7-15-14-6-9-5-13(14)12-4-2-3-11(9)12/h8-9,11-15H,2-7H2,1H3
InChIKeyZLSSXMWSEOJEGJ-UHFFFAOYSA-N
XLogP1.73
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.36
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(1-methyltriazol-4-yl)methyl]tricyclo[5.2.1.02,6]decan-8-amine?
The IUPAC name of N-[(1-methyltriazol-4-yl)methyl]tricyclo[5.2.1.02,6]decan-8-amine (CID 62756684) is N-[(1-methyltriazol-4-yl)methyl]tricyclo[5.2.1.02,6]decan-8-amine.
What is the SMILES notation for N-[(1-methyltriazol-4-yl)methyl]tricyclo[5.2.1.02,6]decan-8-amine?
The canonical SMILES for N-[(1-methyltriazol-4-yl)methyl]tricyclo[5.2.1.02,6]decan-8-amine is Cn1cc(CNC2CC3CC2C2CCCC32)nn1.
What is the InChIKey of N-[(1-methyltriazol-4-yl)methyl]tricyclo[5.2.1.02,6]decan-8-amine?
The InChIKey is ZLSSXMWSEOJEGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4/c1-18-8-10(16-17-18)7-15-14-6-9-5-13(14)12-4-2-3-11(9)12/h8-9,11-15H,2-7H2,1H3.
What are the key properties of N-[(1-methyltriazol-4-yl)methyl]tricyclo[5.2.1.02,6]decan-8-amine?
N-[(1-methyltriazol-4-yl)methyl]tricyclo[5.2.1.02,6]decan-8-amine has a molecular weight of 246.36 g/mol, XLogP of 1.73, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methyltriazol-4-yl)methyl]tricyclo[5.2.1.02,6]decan-8-amine is sourced from PubChem (CID 62756684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).