N-ethyl-3-methyl-2-[(2,4,6-trimethoxyphenyl)methylidene]butan-1-amine

C17H27NO3 — CID 79341964

IUPACN-ethyl-3-methyl-2-[(2,4,6-trimethoxyphenyl)methylidene]butan-1-amine
SMILESCCNCC(=Cc1c(OC)cc(OC)cc1OC)C(C)C
InChIInChI=1S/C17H27NO3/c1-7-18-11-13(12(2)3)8-15-16(20-5)9-14(19-4)10-17(15)21-6/h8-10,12,18H,7,11H2,1-6H3
InChIKeyYKOPOGADPKPMMM-UHFFFAOYSA-N
MW293.41 g/mol
LogP3.36
Rot. Bonds8

About N-ethyl-3-methyl-2-[(2,4,6-trimethoxyphenyl)methylidene]butan-1-amine

N-ethyl-3-methyl-2-[(2,4,6-trimethoxyphenyl)methylidene]butan-1-amine (PubChem CID 79341964) has the molecular formula C17H27NO3 and a molecular weight of 293.41 g/mol. Its IUPAC name is N-ethyl-3-methyl-2-[(2,4,6-trimethoxyphenyl)methylidene]butan-1-amine.

Molecular Properties

Compound NameN-ethyl-3-methyl-2-[(2,4,6-trimethoxyphenyl)methylidene]butan-1-amine
PubChem CID79341964
Molecular FormulaC17H27NO3
Molecular Weight293.41 g/mol
Exact Mass293.20
IUPAC NameN-ethyl-3-methyl-2-[(2,4,6-trimethoxyphenyl)methylidene]butan-1-amine
SMILESCCNCC(=Cc1c(OC)cc(OC)cc1OC)C(C)C
InChIInChI=1S/C17H27NO3/c1-7-18-11-13(12(2)3)8-15-16(20-5)9-14(19-4)10-17(15)21-6/h8-10,12,18H,7,11H2,1-6H3
InChIKeyYKOPOGADPKPMMM-UHFFFAOYSA-N
XLogP3.36
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(bromomethyl)-3-methylbut-1-enyl]-1,3,5-trimethoxybenzene
CID 79321825
N-ethyl-2-[(2-methoxynaphthalen-1-yl)methylidene]-3-methylbutan-1-amine
CID 79341734
N-ethyl-2-[(3-methoxyphenyl)methylidene]-3-methylbutan-1-amine
CID 79339792
N-ethyl-2-[(3-fluoro-4-methoxyphenyl)methylidene]-3-methylbutan-1-amine
CID 79338705
2-[(4-ethoxy-3-methoxyphenyl)methylidene]-N-ethyl-3-methylbutan-1-amine
CID 79339699
N,2-dimethyl-3-(2,4,6-trimethoxyphenyl)prop-2-en-1-amine
CID 79340779
1,3,5-trimethoxy-2-(4-methyl-2-nitropent-1-enyl)benzene
CID 76949337
(2E)-N-ethyl-3-methyl-2-[(2,3,6-trichlorophenyl)methylidene]butan-1-amine
CID 79338621
methyl 5-[2-(ethylaminomethyl)-3-methylbut-1-enyl]-2-methylfuran-3-carboxylate
CID 79338620
2-[(3-ethoxy-2-methoxyphenyl)methylidene]-N-ethyl-3-methylbutan-1-amine
CID 79339431
(2E)-N-ethyl-2-[(6-methoxy-2-pyridinyl)methylidene]-3-methylbutan-1-amine
CID 103348760
2-methyl-3-(2,4,6-trimethoxyphenyl)prop-2-en-1-amine
CID 79330053

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-methyl-2-[(2,4,6-trimethoxyphenyl)methylidene]butan-1-amine?
The IUPAC name of N-ethyl-3-methyl-2-[(2,4,6-trimethoxyphenyl)methylidene]butan-1-amine (CID 79341964) is N-ethyl-3-methyl-2-[(2,4,6-trimethoxyphenyl)methylidene]butan-1-amine.
What is the SMILES notation for N-ethyl-3-methyl-2-[(2,4,6-trimethoxyphenyl)methylidene]butan-1-amine?
The canonical SMILES for N-ethyl-3-methyl-2-[(2,4,6-trimethoxyphenyl)methylidene]butan-1-amine is CCNCC(=Cc1c(OC)cc(OC)cc1OC)C(C)C.
What is the InChIKey of N-ethyl-3-methyl-2-[(2,4,6-trimethoxyphenyl)methylidene]butan-1-amine?
The InChIKey is YKOPOGADPKPMMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO3/c1-7-18-11-13(12(2)3)8-15-16(20-5)9-14(19-4)10-17(15)21-6/h8-10,12,18H,7,11H2,1-6H3.
What are the key properties of N-ethyl-3-methyl-2-[(2,4,6-trimethoxyphenyl)methylidene]butan-1-amine?
N-ethyl-3-methyl-2-[(2,4,6-trimethoxyphenyl)methylidene]butan-1-amine has a molecular weight of 293.41 g/mol, XLogP of 3.36, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-methyl-2-[(2,4,6-trimethoxyphenyl)methylidene]butan-1-amine is sourced from PubChem (CID 79341964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).