N-methyl-5-[(6-methylcyclohex-3-en-1-yl)methoxy]pyridin-3-amine

C14H20N2O — CID 104536016

IUPACN-methyl-5-[(6-methylcyclohex-3-en-1-yl)methoxy]pyridin-3-amine
SMILESCNc1cncc(OCC2CC=CCC2C)c1
InChIInChI=1S/C14H20N2O/c1-11-5-3-4-6-12(11)10-17-14-7-13(15-2)8-16-9-14/h3-4,7-9,11-12,15H,5-6,10H2,1-2H3
InChIKeyVDAYVXRTXKAKMJ-UHFFFAOYSA-N
MW232.33 g/mol
LogP3.10
Rot. Bonds4

About N-methyl-5-[(6-methylcyclohex-3-en-1-yl)methoxy]pyridin-3-amine

N-methyl-5-[(6-methylcyclohex-3-en-1-yl)methoxy]pyridin-3-amine (PubChem CID 104536016) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is N-methyl-5-[(6-methylcyclohex-3-en-1-yl)methoxy]pyridin-3-amine.

Molecular Properties

Compound NameN-methyl-5-[(6-methylcyclohex-3-en-1-yl)methoxy]pyridin-3-amine
PubChem CID104536016
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC NameN-methyl-5-[(6-methylcyclohex-3-en-1-yl)methoxy]pyridin-3-amine
SMILESCNc1cncc(OCC2CC=CCC2C)c1
InChIInChI=1S/C14H20N2O/c1-11-5-3-4-6-12(11)10-17-14-7-13(15-2)8-16-9-14/h3-4,7-9,11-12,15H,5-6,10H2,1-2H3
InChIKeyVDAYVXRTXKAKMJ-UHFFFAOYSA-N
XLogP3.10
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 53.10
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-methyl-5-[(6-methylcyclohex-3-en-1-yl)methoxy]pyridin-3-amine?
The IUPAC name of N-methyl-5-[(6-methylcyclohex-3-en-1-yl)methoxy]pyridin-3-amine (CID 104536016) is N-methyl-5-[(6-methylcyclohex-3-en-1-yl)methoxy]pyridin-3-amine.
What is the SMILES notation for N-methyl-5-[(6-methylcyclohex-3-en-1-yl)methoxy]pyridin-3-amine?
The canonical SMILES for N-methyl-5-[(6-methylcyclohex-3-en-1-yl)methoxy]pyridin-3-amine is CNc1cncc(OCC2CC=CCC2C)c1.
What is the InChIKey of N-methyl-5-[(6-methylcyclohex-3-en-1-yl)methoxy]pyridin-3-amine?
The InChIKey is VDAYVXRTXKAKMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O/c1-11-5-3-4-6-12(11)10-17-14-7-13(15-2)8-16-9-14/h3-4,7-9,11-12,15H,5-6,10H2,1-2H3.
What are the key properties of N-methyl-5-[(6-methylcyclohex-3-en-1-yl)methoxy]pyridin-3-amine?
N-methyl-5-[(6-methylcyclohex-3-en-1-yl)methoxy]pyridin-3-amine has a molecular weight of 232.33 g/mol, XLogP of 3.10, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-5-[(6-methylcyclohex-3-en-1-yl)methoxy]pyridin-3-amine is sourced from PubChem (CID 104536016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).