(E)-N-[(3,4,5-trimethoxyphenyl)methyl]pent-3-en-1-amine

C15H23NO3 — CID 115629149

IUPAC(E)-N-[(3,4,5-trimethoxyphenyl)methyl]pent-3-en-1-amine
SMILESC/C=C/CCNCc1cc(OC)c(OC)c(OC)c1
InChIInChI=1S/C15H23NO3/c1-5-6-7-8-16-11-12-9-13(17-2)15(19-4)14(10-12)18-3/h5-6,9-10,16H,7-8,11H2,1-4H3/b6-5+
InChIKeyRDMSEICVKLMOIN-AATRIKPKSA-N
MW265.35 g/mol
LogP2.77
Rot. Bonds8

About (E)-N-[(3,4,5-trimethoxyphenyl)methyl]pent-3-en-1-amine

(E)-N-[(3,4,5-trimethoxyphenyl)methyl]pent-3-en-1-amine (PubChem CID 115629149) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is (E)-N-[(3,4,5-trimethoxyphenyl)methyl]pent-3-en-1-amine.

Molecular Properties

Compound Name(E)-N-[(3,4,5-trimethoxyphenyl)methyl]pent-3-en-1-amine
PubChem CID115629149
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Name(E)-N-[(3,4,5-trimethoxyphenyl)methyl]pent-3-en-1-amine
SMILESC/C=C/CCNCc1cc(OC)c(OC)c(OC)c1
InChIInChI=1S/C15H23NO3/c1-5-6-7-8-16-11-12-9-13(17-2)15(19-4)14(10-12)18-3/h5-6,9-10,16H,7-8,11H2,1-4H3/b6-5+
InChIKeyRDMSEICVKLMOIN-AATRIKPKSA-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': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(E)-N-[(3,5-dibromo-4-methoxyphenyl)methyl]pent-3-en-1-amine
CID 113236618
(E)-N-[(3,5-dimethoxyphenyl)methyl]pent-3-en-1-amine
CID 115628979
(E)-N-[(4-ethoxy-3-methoxyphenyl)methyl]pent-3-en-1-amine
CID 115629151
N-[(3,4,5-trimethoxyphenyl)methyl]propan-1-amine;hydrochloride
CID 17293493
2-methoxy-5-[[[(E)-pent-3-enyl]amino]methyl]phenol
CID 115629089
(E)-N-[(4-methoxyphenyl)methyl]pent-3-en-1-amine
CID 115629053
N'-[(3,4,5-trimethoxyphenyl)methyl]propane-1,3-diamine
CID 60889130
N'-hydroxy-2-methoxy-4-[[[(E)-pent-3-enyl]amino]methyl]benzenecarboximidamide
CID 106789997
3-[(3,4,5-trimethoxyphenyl)methylamino]propane-1-sulfonic acid
CID 11244091
N-[(3,4,5-trimethoxyphenyl)methyl]prop-2-en-1-amine
CID 4719130
2-[3-[(3,4,5-trimethoxyphenyl)methylamino]propylamino]ethanol
CID 17214225
1-[2-[(3,4,5-trimethoxyphenyl)methylamino]ethylamino]propan-2-ol
CID 4721294

Frequently Asked Questions

What is the IUPAC name of (E)-N-[(3,4,5-trimethoxyphenyl)methyl]pent-3-en-1-amine?
The IUPAC name of (E)-N-[(3,4,5-trimethoxyphenyl)methyl]pent-3-en-1-amine (CID 115629149) is (E)-N-[(3,4,5-trimethoxyphenyl)methyl]pent-3-en-1-amine.
What is the SMILES notation for (E)-N-[(3,4,5-trimethoxyphenyl)methyl]pent-3-en-1-amine?
The canonical SMILES for (E)-N-[(3,4,5-trimethoxyphenyl)methyl]pent-3-en-1-amine is C/C=C/CCNCc1cc(OC)c(OC)c(OC)c1.
What is the InChIKey of (E)-N-[(3,4,5-trimethoxyphenyl)methyl]pent-3-en-1-amine?
The InChIKey is RDMSEICVKLMOIN-AATRIKPKSA-N. The full InChI is InChI=1S/C15H23NO3/c1-5-6-7-8-16-11-12-9-13(17-2)15(19-4)14(10-12)18-3/h5-6,9-10,16H,7-8,11H2,1-4H3/b6-5+.
What are the key properties of (E)-N-[(3,4,5-trimethoxyphenyl)methyl]pent-3-en-1-amine?
(E)-N-[(3,4,5-trimethoxyphenyl)methyl]pent-3-en-1-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 (E)-N-[(3,4,5-trimethoxyphenyl)methyl]pent-3-en-1-amine is sourced from PubChem (CID 115629149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).