N-[2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-2-methylbut-3-enyl]cyclopropanamine

C17H26N2O — CID 102641130

IUPACN-[2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-2-methylbut-3-enyl]cyclopropanamine
SMILESC=CC(C)(CNC1CC1)Cc1ncc(C)c(OC)c1C
InChIInChI=1S/C17H26N2O/c1-6-17(4,11-19-14-7-8-14)9-15-13(3)16(20-5)12(2)10-18-15/h6,10,14,19H,1,7-9,11H2,2-5H3
InChIKeyVTNRSIVDDITNRH-UHFFFAOYSA-N
MW274.41 g/mol
LogP3.19
Rot. Bonds7

About N-[2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-2-methylbut-3-enyl]cyclopropanamine

N-[2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-2-methylbut-3-enyl]cyclopropanamine (PubChem CID 102641130) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is N-[2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-2-methylbut-3-enyl]cyclopropanamine.

Molecular Properties

Compound NameN-[2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-2-methylbut-3-enyl]cyclopropanamine
PubChem CID102641130
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC NameN-[2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-2-methylbut-3-enyl]cyclopropanamine
SMILESC=CC(C)(CNC1CC1)Cc1ncc(C)c(OC)c1C
InChIInChI=1S/C17H26N2O/c1-6-17(4,11-19-14-7-8-14)9-15-13(3)16(20-5)12(2)10-18-15/h6,10,14,19H,1,7-9,11H2,2-5H3
InChIKeyVTNRSIVDDITNRH-UHFFFAOYSA-N
XLogP3.19
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 53.19
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-tert-butyl-2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-2-methylbut-3-en-1-amine
CID 102641299
2-[2-(bromomethyl)-2-methylbut-3-enyl]-4-methoxy-3,5-dimethylpyridine
CID 102642172
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
2-cyclopropyl-3-(4-methoxy-3,5-dimethyl-2-pyridinyl)-2-methylpropan-1-amine
CID 83147876
N-[2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]butyl]cyclopropanamine
CID 62529169
N-[[2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]cyclopentyl]methyl]cyclopropanamine
CID 81026993
2-[3-bromo-2-(bromomethyl)-2-cyclopentylpropyl]-4-methoxy-3,5-dimethylpyridine
CID 115927255
N-[2-[(5-bromo-2-pyridinyl)methyl]-2-methylbut-3-enyl]cyclopropanamine
CID 102641258
1-methoxy-3-(4-methoxy-3,5-dimethyl-2-pyridinyl)-2-methylpropan-2-amine
CID 62620926
N-[[1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]pyrrol-3-yl]methyl]cyclopropanamine
CID 66405969
N-[2-[(5-bromo-2-methoxyphenyl)methyl]-2-methylbut-3-enyl]cyclopropanamine
CID 102641210

Frequently Asked Questions

What is the IUPAC name of N-[2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-2-methylbut-3-enyl]cyclopropanamine?
The IUPAC name of N-[2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-2-methylbut-3-enyl]cyclopropanamine (CID 102641130) is N-[2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-2-methylbut-3-enyl]cyclopropanamine.
What is the SMILES notation for N-[2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-2-methylbut-3-enyl]cyclopropanamine?
The canonical SMILES for N-[2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-2-methylbut-3-enyl]cyclopropanamine is C=CC(C)(CNC1CC1)Cc1ncc(C)c(OC)c1C.
What is the InChIKey of N-[2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-2-methylbut-3-enyl]cyclopropanamine?
The InChIKey is VTNRSIVDDITNRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-6-17(4,11-19-14-7-8-14)9-15-13(3)16(20-5)12(2)10-18-15/h6,10,14,19H,1,7-9,11H2,2-5H3.
What are the key properties of N-[2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-2-methylbut-3-enyl]cyclopropanamine?
N-[2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-2-methylbut-3-enyl]cyclopropanamine has a molecular weight of 274.41 g/mol, XLogP of 3.19, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-2-methylbut-3-enyl]cyclopropanamine is sourced from PubChem (CID 102641130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).