N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-6-methoxypyridin-3-amine

C14H18N2O — CID 43755848

IUPACN-(2-bicyclo[2.2.1]hept-5-enylmethyl)-6-methoxypyridin-3-amine
SMILESCOc1ccc(NCC2CC3C=CC2C3)cn1
InChIInChI=1S/C14H18N2O/c1-17-14-5-4-13(9-16-14)15-8-12-7-10-2-3-11(12)6-10/h2-5,9-12,15H,6-8H2,1H3
InChIKeyAMYKKUNUAJHIKB-UHFFFAOYSA-N
MW230.31 g/mol
LogP2.71
Rot. Bonds4

About N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-6-methoxypyridin-3-amine

N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-6-methoxypyridin-3-amine (PubChem CID 43755848) has the molecular formula C14H18N2O and a molecular weight of 230.31 g/mol. Its IUPAC name is N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-6-methoxypyridin-3-amine.

Molecular Properties

Compound NameN-(2-bicyclo[2.2.1]hept-5-enylmethyl)-6-methoxypyridin-3-amine
PubChem CID43755848
Molecular FormulaC14H18N2O
Molecular Weight230.31 g/mol
Exact Mass230.14
IUPAC NameN-(2-bicyclo[2.2.1]hept-5-enylmethyl)-6-methoxypyridin-3-amine
SMILESCOc1ccc(NCC2CC3C=CC2C3)cn1
InChIInChI=1S/C14H18N2O/c1-17-14-5-4-13(9-16-14)15-8-12-7-10-2-3-11(12)6-10/h2-5,9-12,15H,6-8H2,1H3
InChIKeyAMYKKUNUAJHIKB-UHFFFAOYSA-N
XLogP2.71
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-6-(1,2,4-triazol-1-yl)pyridin-3-amine
CID 43782804
6-methoxy-N-(pyrrolidin-2-ylmethyl)pyridin-3-amine
CID 106636193
N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-5-methylpyridin-2-amine
CID 115692610
5-[[(6-methoxy-3-pyridinyl)amino]methyl]pyrrolidin-2-one
CID 107529033
N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-1,3-dimethylpyrazolo[5,4-b]pyridin-5-amine
CID 43787087
N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-3,5-dichloroaniline
CID 43760335
N-[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]-6-methoxypyridin-3-amine
CID 64850574
6-methoxy-N-[(1-methylpiperidin-3-yl)methyl]pyridin-3-amine
CID 55099888
N-[(3,3-difluorocyclopentyl)methyl]-6-methoxypyridin-3-amine
CID 114223686
N-cyclohex-2-en-1-yl-6-methoxypyridin-3-amine
CID 107906229
N-[4-(2-bicyclo[2.2.1]hept-5-enylmethylamino)-2-chlorophenyl]acetamide
CID 43782533
N-(2-bromoprop-2-enyl)-6-methoxypyridin-3-amine
CID 60873566

Frequently Asked Questions

What is the IUPAC name of N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-6-methoxypyridin-3-amine?
The IUPAC name of N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-6-methoxypyridin-3-amine (CID 43755848) is N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-6-methoxypyridin-3-amine.
What is the SMILES notation for N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-6-methoxypyridin-3-amine?
The canonical SMILES for N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-6-methoxypyridin-3-amine is COc1ccc(NCC2CC3C=CC2C3)cn1.
What is the InChIKey of N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-6-methoxypyridin-3-amine?
The InChIKey is AMYKKUNUAJHIKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O/c1-17-14-5-4-13(9-16-14)15-8-12-7-10-2-3-11(12)6-10/h2-5,9-12,15H,6-8H2,1H3.
What are the key properties of N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-6-methoxypyridin-3-amine?
N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-6-methoxypyridin-3-amine has a molecular weight of 230.31 g/mol, XLogP of 2.71, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-6-methoxypyridin-3-amine is sourced from PubChem (CID 43755848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).