N-(cyclohex-3-en-1-ylmethyl)-4,6-dimethylpyridin-2-amine

C14H20N2 — CID 115757230

IUPACN-(cyclohex-3-en-1-ylmethyl)-4,6-dimethylpyridin-2-amine
SMILESCc1cc(C)nc(NCC2CC=CCC2)c1
InChIInChI=1S/C14H20N2/c1-11-8-12(2)16-14(9-11)15-10-13-6-4-3-5-7-13/h3-4,8-9,13H,5-7,10H2,1-2H3,(H,15,16)
InChIKeyABRODMHEUTZFOE-UHFFFAOYSA-N
MW216.33 g/mol
LogP3.47
Rot. Bonds3

About N-(cyclohex-3-en-1-ylmethyl)-4,6-dimethylpyridin-2-amine

N-(cyclohex-3-en-1-ylmethyl)-4,6-dimethylpyridin-2-amine (PubChem CID 115757230) has the molecular formula C14H20N2 and a molecular weight of 216.33 g/mol. Its IUPAC name is N-(cyclohex-3-en-1-ylmethyl)-4,6-dimethylpyridin-2-amine.

Molecular Properties

Compound NameN-(cyclohex-3-en-1-ylmethyl)-4,6-dimethylpyridin-2-amine
PubChem CID115757230
Molecular FormulaC14H20N2
Molecular Weight216.33 g/mol
Exact Mass216.16
IUPAC NameN-(cyclohex-3-en-1-ylmethyl)-4,6-dimethylpyridin-2-amine
SMILESCc1cc(C)nc(NCC2CC=CCC2)c1
InChIInChI=1S/C14H20N2/c1-11-8-12(2)16-14(9-11)15-10-13-6-4-3-5-7-13/h3-4,8-9,13H,5-7,10H2,1-2H3,(H,15,16)
InChIKeyABRODMHEUTZFOE-UHFFFAOYSA-N
XLogP3.47
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.33
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(cyclohex-3-en-1-ylmethyl)-4,6-dimethylpyridin-2-amine?
The IUPAC name of N-(cyclohex-3-en-1-ylmethyl)-4,6-dimethylpyridin-2-amine (CID 115757230) is N-(cyclohex-3-en-1-ylmethyl)-4,6-dimethylpyridin-2-amine.
What is the SMILES notation for N-(cyclohex-3-en-1-ylmethyl)-4,6-dimethylpyridin-2-amine?
The canonical SMILES for N-(cyclohex-3-en-1-ylmethyl)-4,6-dimethylpyridin-2-amine is Cc1cc(C)nc(NCC2CC=CCC2)c1.
What is the InChIKey of N-(cyclohex-3-en-1-ylmethyl)-4,6-dimethylpyridin-2-amine?
The InChIKey is ABRODMHEUTZFOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2/c1-11-8-12(2)16-14(9-11)15-10-13-6-4-3-5-7-13/h3-4,8-9,13H,5-7,10H2,1-2H3,(H,15,16).
What are the key properties of N-(cyclohex-3-en-1-ylmethyl)-4,6-dimethylpyridin-2-amine?
N-(cyclohex-3-en-1-ylmethyl)-4,6-dimethylpyridin-2-amine has a molecular weight of 216.33 g/mol, XLogP of 3.47, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohex-3-en-1-ylmethyl)-4,6-dimethylpyridin-2-amine is sourced from PubChem (CID 115757230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).