N-[(2,4,6-trimethoxyphenyl)methyl]pent-4-en-2-amine

C15H23NO3 — CID 115633047

IUPACN-[(2,4,6-trimethoxyphenyl)methyl]pent-4-en-2-amine
SMILESC=CCC(C)NCc1c(OC)cc(OC)cc1OC
InChIInChI=1S/C15H23NO3/c1-6-7-11(2)16-10-13-14(18-4)8-12(17-3)9-15(13)19-5/h6,8-9,11,16H,1,7,10H2,2-5H3
InChIKeyOPQKLFAIRLEITF-UHFFFAOYSA-N
MW265.35 g/mol
LogP2.77
Rot. Bonds8

About N-[(2,4,6-trimethoxyphenyl)methyl]pent-4-en-2-amine

N-[(2,4,6-trimethoxyphenyl)methyl]pent-4-en-2-amine (PubChem CID 115633047) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is N-[(2,4,6-trimethoxyphenyl)methyl]pent-4-en-2-amine.

Molecular Properties

Compound NameN-[(2,4,6-trimethoxyphenyl)methyl]pent-4-en-2-amine
PubChem CID115633047
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC NameN-[(2,4,6-trimethoxyphenyl)methyl]pent-4-en-2-amine
SMILESC=CCC(C)NCc1c(OC)cc(OC)cc1OC
InChIInChI=1S/C15H23NO3/c1-6-7-11(2)16-10-13-14(18-4)8-12(17-3)9-15(13)19-5/h6,8-9,11,16H,1,7,10H2,2-5H3
InChIKeyOPQKLFAIRLEITF-UHFFFAOYSA-N
XLogP2.77
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2S)-N-[(4-methoxyphenyl)methyl]pent-4-en-2-amine
CID 130367202
3-methyl-N-[(2,4,6-trimethoxyphenyl)methyl]pentan-2-amine
CID 61463232
N-[(2-bromo-4,6-dimethoxyphenyl)methyl]propan-2-amine
CID 115735467
N-[(4,5-dimethoxy-2-methylsulfanylphenyl)methyl]pent-4-en-2-amine
CID 115646570
(2S)-3-prop-2-enoxy-2-[(2,4,6-trimethoxyphenyl)methylamino]propanoic acid
CID 11370772
(1S)-1-(2,5-dimethoxyphenyl)-N-[(2,4,6-trimethoxyphenyl)methyl]ethanamine
CID 9396251
ethyl 2-[(2,4,6-trimethoxyphenyl)methylamino]propanoate
CID 61498510
N-ethyl-2-[(2,4,6-trimethoxyphenyl)methylamino]propanamide
CID 43399013
1-thiophen-3-yl-N-[(2,4,6-trimethoxyphenyl)methyl]ethanamine
CID 62841838
2-methyl-1-prop-2-enyl-3-[(2,4,6-trimethoxyphenyl)methyl]guanidine
CID 110982769
5-methoxy-1,3-dimethyl-2-pent-4-en-2-ylbenzene
CID 83940128
1,5-dimethoxy-3-methyl-2-prop-2-enylbenzene
CID 55275341

Frequently Asked Questions

What is the IUPAC name of N-[(2,4,6-trimethoxyphenyl)methyl]pent-4-en-2-amine?
The IUPAC name of N-[(2,4,6-trimethoxyphenyl)methyl]pent-4-en-2-amine (CID 115633047) is N-[(2,4,6-trimethoxyphenyl)methyl]pent-4-en-2-amine.
What is the SMILES notation for N-[(2,4,6-trimethoxyphenyl)methyl]pent-4-en-2-amine?
The canonical SMILES for N-[(2,4,6-trimethoxyphenyl)methyl]pent-4-en-2-amine is C=CCC(C)NCc1c(OC)cc(OC)cc1OC.
What is the InChIKey of N-[(2,4,6-trimethoxyphenyl)methyl]pent-4-en-2-amine?
The InChIKey is OPQKLFAIRLEITF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-6-7-11(2)16-10-13-14(18-4)8-12(17-3)9-15(13)19-5/h6,8-9,11,16H,1,7,10H2,2-5H3.
What are the key properties of N-[(2,4,6-trimethoxyphenyl)methyl]pent-4-en-2-amine?
N-[(2,4,6-trimethoxyphenyl)methyl]pent-4-en-2-amine has a molecular weight of 265.35 g/mol, XLogP of 2.77, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4,6-trimethoxyphenyl)methyl]pent-4-en-2-amine is sourced from PubChem (CID 115633047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).