N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-6-ethoxypyridin-3-amine

C16H24N2O — CID 103276908

IUPACN-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-6-ethoxypyridin-3-amine
SMILESCCOc1ccc(NCC2CC(C)=CC(C)C2)cn1
InChIInChI=1S/C16H24N2O/c1-4-19-16-6-5-15(11-18-16)17-10-14-8-12(2)7-13(3)9-14/h5-7,11-12,14,17H,4,8-10H2,1-3H3
InChIKeyXASQQMHRZNHUHN-UHFFFAOYSA-N
MW260.38 g/mol
LogP3.88
Rot. Bonds5

About N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-6-ethoxypyridin-3-amine

N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-6-ethoxypyridin-3-amine (PubChem CID 103276908) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-6-ethoxypyridin-3-amine.

Molecular Properties

Compound NameN-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-6-ethoxypyridin-3-amine
PubChem CID103276908
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC NameN-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-6-ethoxypyridin-3-amine
SMILESCCOc1ccc(NCC2CC(C)=CC(C)C2)cn1
InChIInChI=1S/C16H24N2O/c1-4-19-16-6-5-15(11-18-16)17-10-14-8-12(2)7-13(3)9-14/h5-7,11-12,14,17H,4,8-10H2,1-3H3
InChIKeyXASQQMHRZNHUHN-UHFFFAOYSA-N
XLogP3.88
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-6-ethoxypyridin-3-amine?
The IUPAC name of N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-6-ethoxypyridin-3-amine (CID 103276908) is N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-6-ethoxypyridin-3-amine.
What is the SMILES notation for N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-6-ethoxypyridin-3-amine?
The canonical SMILES for N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-6-ethoxypyridin-3-amine is CCOc1ccc(NCC2CC(C)=CC(C)C2)cn1.
What is the InChIKey of N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-6-ethoxypyridin-3-amine?
The InChIKey is XASQQMHRZNHUHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-4-19-16-6-5-15(11-18-16)17-10-14-8-12(2)7-13(3)9-14/h5-7,11-12,14,17H,4,8-10H2,1-3H3.
What are the key properties of N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-6-ethoxypyridin-3-amine?
N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-6-ethoxypyridin-3-amine has a molecular weight of 260.38 g/mol, XLogP of 3.88, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-6-ethoxypyridin-3-amine is sourced from PubChem (CID 103276908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).