2-methyl-N-[[2-(3-methylbut-3-enoxy)-6-propan-2-yl-4-pyridinyl]methyl]propan-2-amine

C18H30N2O — CID 114470486

IUPAC2-methyl-N-[[2-(3-methylbut-3-enoxy)-6-propan-2-yl-4-pyridinyl]methyl]propan-2-amine
SMILESC=C(C)CCOc1cc(CNC(C)(C)C)cc(C(C)C)n1
InChIInChI=1S/C18H30N2O/c1-13(2)8-9-21-17-11-15(12-19-18(5,6)7)10-16(20-17)14(3)4/h10-11,14,19H,1,8-9,12H2,2-7H3
InChIKeyFWEZBRBXHGESFU-UHFFFAOYSA-N
MW290.45 g/mol
LogP4.44
Rot. Bonds7

About 2-methyl-N-[[2-(3-methylbut-3-enoxy)-6-propan-2-yl-4-pyridinyl]methyl]propan-2-amine

2-methyl-N-[[2-(3-methylbut-3-enoxy)-6-propan-2-yl-4-pyridinyl]methyl]propan-2-amine (PubChem CID 114470486) has the molecular formula C18H30N2O and a molecular weight of 290.45 g/mol. Its IUPAC name is 2-methyl-N-[[2-(3-methylbut-3-enoxy)-6-propan-2-yl-4-pyridinyl]methyl]propan-2-amine.

Molecular Properties

Compound Name2-methyl-N-[[2-(3-methylbut-3-enoxy)-6-propan-2-yl-4-pyridinyl]methyl]propan-2-amine
PubChem CID114470486
Molecular FormulaC18H30N2O
Molecular Weight290.45 g/mol
Exact Mass290.24
IUPAC Name2-methyl-N-[[2-(3-methylbut-3-enoxy)-6-propan-2-yl-4-pyridinyl]methyl]propan-2-amine
SMILESC=C(C)CCOc1cc(CNC(C)(C)C)cc(C(C)C)n1
InChIInChI=1S/C18H30N2O/c1-13(2)8-9-21-17-11-15(12-19-18(5,6)7)10-16(20-17)14(3)4/h10-11,14,19H,1,8-9,12H2,2-7H3
InChIKeyFWEZBRBXHGESFU-UHFFFAOYSA-N
XLogP4.44
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-methyl-N-[[2-(3-methylbut-3-enoxy)-6-propan-2-yl-4-pyridinyl]methyl]propan-2-amine with MolForge

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Related Compounds

2-methyl-N-[(2-pentan-2-yloxy-6-propan-2-yl-4-pyridinyl)methyl]propan-2-amine
CID 102985983
N-methyl-1-[2-methyl-6-(3-methylbut-3-enoxy)-4-pyridinyl]methanamine
CID 114470514
2-methyl-N-[[2-methyl-6-(3-methylbut-3-enoxy)-3-pyridinyl]methyl]propan-2-amine
CID 114470537
2-methyl-N-[[3-(3-methylbut-3-enoxy)phenyl]methyl]propan-2-amine
CID 114471605
2-methyl-N-[[2-(3-methylbut-3-enoxy)-4-pyridinyl]methyl]propan-1-amine
CID 114470489
N-[[2-(2-cyclopropylethoxy)-6-ethyl-4-pyridinyl]methyl]-2-methylpropan-2-amine
CID 106205411
2-methyl-N-[[5-(3-methylbut-3-enoxy)-1,3,4-thiadiazol-2-yl]methyl]propan-2-amine
CID 114470615
N-[[2-(3-methylbut-3-enoxy)quinolin-4-yl]methyl]propan-2-amine
CID 114470472
N-[[3,5-dimethoxy-4-(3-methylbut-3-enoxy)phenyl]methyl]propan-2-amine
CID 114471507
4-[(tert-butylamino)methyl]-2,6-di(propan-2-yl)phenol
CID 18958462
N-[[2-ethyl-6-(2-methylpentoxy)-4-pyridinyl]methyl]-2-methylpropan-2-amine
CID 103285465
2-methyl-N-[[3-methyl-2-(3-methylbut-3-enoxy)phenyl]methyl]propan-2-amine
CID 114471737

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[2-(3-methylbut-3-enoxy)-6-propan-2-yl-4-pyridinyl]methyl]propan-2-amine?
The IUPAC name of 2-methyl-N-[[2-(3-methylbut-3-enoxy)-6-propan-2-yl-4-pyridinyl]methyl]propan-2-amine (CID 114470486) is 2-methyl-N-[[2-(3-methylbut-3-enoxy)-6-propan-2-yl-4-pyridinyl]methyl]propan-2-amine.
What is the SMILES notation for 2-methyl-N-[[2-(3-methylbut-3-enoxy)-6-propan-2-yl-4-pyridinyl]methyl]propan-2-amine?
The canonical SMILES for 2-methyl-N-[[2-(3-methylbut-3-enoxy)-6-propan-2-yl-4-pyridinyl]methyl]propan-2-amine is C=C(C)CCOc1cc(CNC(C)(C)C)cc(C(C)C)n1.
What is the InChIKey of 2-methyl-N-[[2-(3-methylbut-3-enoxy)-6-propan-2-yl-4-pyridinyl]methyl]propan-2-amine?
The InChIKey is FWEZBRBXHGESFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O/c1-13(2)8-9-21-17-11-15(12-19-18(5,6)7)10-16(20-17)14(3)4/h10-11,14,19H,1,8-9,12H2,2-7H3.
What are the key properties of 2-methyl-N-[[2-(3-methylbut-3-enoxy)-6-propan-2-yl-4-pyridinyl]methyl]propan-2-amine?
2-methyl-N-[[2-(3-methylbut-3-enoxy)-6-propan-2-yl-4-pyridinyl]methyl]propan-2-amine has a molecular weight of 290.45 g/mol, XLogP of 4.44, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[2-(3-methylbut-3-enoxy)-6-propan-2-yl-4-pyridinyl]methyl]propan-2-amine is sourced from PubChem (CID 114470486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).