N-methyl-1-[6-(3-methylbut-3-enoxy)-2-pyridinyl]methanamine

C12H18N2O — CID 114470605

IUPACN-methyl-1-[6-(3-methylbut-3-enoxy)-2-pyridinyl]methanamine
SMILESC=C(C)CCOc1cccc(CNC)n1
InChIInChI=1S/C12H18N2O/c1-10(2)7-8-15-12-6-4-5-11(14-12)9-13-3/h4-6,13H,1,7-9H2,2-3H3
InChIKeyGOWUBROEJYJTDH-UHFFFAOYSA-N
MW206.29 g/mol
LogP2.15
Rot. Bonds6

About N-methyl-1-[6-(3-methylbut-3-enoxy)-2-pyridinyl]methanamine

N-methyl-1-[6-(3-methylbut-3-enoxy)-2-pyridinyl]methanamine (PubChem CID 114470605) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is N-methyl-1-[6-(3-methylbut-3-enoxy)-2-pyridinyl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[6-(3-methylbut-3-enoxy)-2-pyridinyl]methanamine
PubChem CID114470605
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC NameN-methyl-1-[6-(3-methylbut-3-enoxy)-2-pyridinyl]methanamine
SMILESC=C(C)CCOc1cccc(CNC)n1
InChIInChI=1S/C12H18N2O/c1-10(2)7-8-15-12-6-4-5-11(14-12)9-13-3/h4-6,13H,1,7-9H2,2-3H3
InChIKeyGOWUBROEJYJTDH-UHFFFAOYSA-N
XLogP2.15
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 52.15
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

2-methyl-N-[[6-(3-methylbut-3-enoxy)-2-pyridinyl]methyl]propan-1-amine
CID 114470549
1-[6-(2-methoxyethoxy)-2-pyridinyl]-N-methylmethanamine
CID 62292157
1-(6-hexoxy-2-pyridinyl)-N-methylmethanamine
CID 62291660
1-(6-but-2-enoxy-2-pyridinyl)-N-methylmethanamine
CID 76938374
N-methyl-1-[2-methyl-6-(3-methylbut-3-enoxy)-4-pyridinyl]methanamine
CID 114470514
1-[6-[(4-methoxyphenyl)methoxy]-2-pyridinyl]-N-methylmethanamine
CID 62291688
1-[6-(4-ethylphenoxy)-2-pyridinyl]-N-methylmethanamine
CID 62298335
N-[(6-but-3-enoxy-2-pyridinyl)methyl]ethanamine
CID 62289501
ethane;methyl-[6-(methylaminomethyl)-2-pyridinyl]phosphinic acid
CID 166148087
2-methyl-N-[[2-methyl-6-(3-methylbut-3-enoxy)-3-pyridinyl]methyl]propan-2-amine
CID 114470537
2-methyl-N-[(6-propoxy-2-pyridinyl)methyl]propan-2-amine
CID 62292233
1-[6-(4-chlorophenoxy)-2-pyridinyl]-N-methylmethanamine
CID 62298182

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[6-(3-methylbut-3-enoxy)-2-pyridinyl]methanamine?
The IUPAC name of N-methyl-1-[6-(3-methylbut-3-enoxy)-2-pyridinyl]methanamine (CID 114470605) is N-methyl-1-[6-(3-methylbut-3-enoxy)-2-pyridinyl]methanamine.
What is the SMILES notation for N-methyl-1-[6-(3-methylbut-3-enoxy)-2-pyridinyl]methanamine?
The canonical SMILES for N-methyl-1-[6-(3-methylbut-3-enoxy)-2-pyridinyl]methanamine is C=C(C)CCOc1cccc(CNC)n1.
What is the InChIKey of N-methyl-1-[6-(3-methylbut-3-enoxy)-2-pyridinyl]methanamine?
The InChIKey is GOWUBROEJYJTDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O/c1-10(2)7-8-15-12-6-4-5-11(14-12)9-13-3/h4-6,13H,1,7-9H2,2-3H3.
What are the key properties of N-methyl-1-[6-(3-methylbut-3-enoxy)-2-pyridinyl]methanamine?
N-methyl-1-[6-(3-methylbut-3-enoxy)-2-pyridinyl]methanamine has a molecular weight of 206.29 g/mol, XLogP of 2.15, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[6-(3-methylbut-3-enoxy)-2-pyridinyl]methanamine is sourced from PubChem (CID 114470605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).