N-tert-butyl-2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-2-methylbut-3-en-1-amine

C18H30N2O — CID 102641299

IUPACN-tert-butyl-2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-2-methylbut-3-en-1-amine
SMILESC=CC(C)(CNC(C)(C)C)Cc1ncc(C)c(OC)c1C
InChIInChI=1S/C18H30N2O/c1-9-18(7,12-20-17(4,5)6)10-15-14(3)16(21-8)13(2)11-19-15/h9,11,20H,1,10,12H2,2-8H3
InChIKeySPHGWEASUNLKAO-UHFFFAOYSA-N
MW290.45 g/mol
LogP3.83
Rot. Bonds6

About N-tert-butyl-2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-2-methylbut-3-en-1-amine

N-tert-butyl-2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-2-methylbut-3-en-1-amine (PubChem CID 102641299) has the molecular formula C18H30N2O and a molecular weight of 290.45 g/mol. Its IUPAC name is N-tert-butyl-2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-2-methylbut-3-en-1-amine.

Molecular Properties

Compound NameN-tert-butyl-2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-2-methylbut-3-en-1-amine
PubChem CID102641299
Molecular FormulaC18H30N2O
Molecular Weight290.45 g/mol
Exact Mass290.24
IUPAC NameN-tert-butyl-2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-2-methylbut-3-en-1-amine
SMILESC=CC(C)(CNC(C)(C)C)Cc1ncc(C)c(OC)c1C
InChIInChI=1S/C18H30N2O/c1-9-18(7,12-20-17(4,5)6)10-15-14(3)16(21-8)13(2)11-19-15/h9,11,20H,1,10,12H2,2-8H3
InChIKeySPHGWEASUNLKAO-UHFFFAOYSA-N
XLogP3.83
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 53.83
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-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-2-methyl-N-propylbut-3-en-1-amine
CID 102640807
2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-2-methyl-N-propan-2-ylbut-3-en-1-amine
CID 102640970
N-[2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-2-methylbut-3-enyl]cyclopropanamine
CID 102641130
2-[2-(bromomethyl)-2-methylbut-3-enyl]-4-methoxy-3,5-dimethylpyridine
CID 102642172
N-tert-butyl-4-(4-methoxy-3,5-dimethyl-2-pyridinyl)butan-1-amine
CID 64503282
N-tert-butyl-4-(4-methoxy-3,5-dimethyl-2-pyridinyl)-2-methylbutan-1-amine
CID 64665639
1-methoxy-3-(4-methoxy-3,5-dimethyl-2-pyridinyl)-2-methylpropan-2-amine
CID 62620926
2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-2-methylpentan-1-amine
CID 62725096
2-cyclopropyl-3-(4-methoxy-3,5-dimethyl-2-pyridinyl)-2-methylpropan-1-amine
CID 83147876
1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylamino]-2-methylbutan-2-ol
CID 65106545
2-ethyl-2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-N-methylhexan-1-amine
CID 62726242
1-(4-methoxy-3,5-dimethyl-2-pyridinyl)-3,3-dimethylbutan-2-ol
CID 62606138

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-2-methylbut-3-en-1-amine?
The IUPAC name of N-tert-butyl-2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-2-methylbut-3-en-1-amine (CID 102641299) is N-tert-butyl-2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-2-methylbut-3-en-1-amine.
What is the SMILES notation for N-tert-butyl-2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-2-methylbut-3-en-1-amine?
The canonical SMILES for N-tert-butyl-2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-2-methylbut-3-en-1-amine is C=CC(C)(CNC(C)(C)C)Cc1ncc(C)c(OC)c1C.
What is the InChIKey of N-tert-butyl-2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-2-methylbut-3-en-1-amine?
The InChIKey is SPHGWEASUNLKAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O/c1-9-18(7,12-20-17(4,5)6)10-15-14(3)16(21-8)13(2)11-19-15/h9,11,20H,1,10,12H2,2-8H3.
What are the key properties of N-tert-butyl-2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-2-methylbut-3-en-1-amine?
N-tert-butyl-2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-2-methylbut-3-en-1-amine has a molecular weight of 290.45 g/mol, XLogP of 3.83, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-2-methylbut-3-en-1-amine is sourced from PubChem (CID 102641299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).