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

C14H21NO2 — CID 115628979

IUPAC(E)-N-[(3,5-dimethoxyphenyl)methyl]pent-3-en-1-amine
SMILESC/C=C/CCNCc1cc(OC)cc(OC)c1
InChIInChI=1S/C14H21NO2/c1-4-5-6-7-15-11-12-8-13(16-2)10-14(9-12)17-3/h4-5,8-10,15H,6-7,11H2,1-3H3/b5-4+
InChIKeyVZBJYCOELFBBIL-SNAWJCMRSA-N
MW235.33 g/mol
LogP2.76
Rot. Bonds7

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

(E)-N-[(3,5-dimethoxyphenyl)methyl]pent-3-en-1-amine (PubChem CID 115628979) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is (E)-N-[(3,5-dimethoxyphenyl)methyl]pent-3-en-1-amine.

Molecular Properties

Compound Name(E)-N-[(3,5-dimethoxyphenyl)methyl]pent-3-en-1-amine
PubChem CID115628979
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name(E)-N-[(3,5-dimethoxyphenyl)methyl]pent-3-en-1-amine
SMILESC/C=C/CCNCc1cc(OC)cc(OC)c1
InChIInChI=1S/C14H21NO2/c1-4-5-6-7-15-11-12-8-13(16-2)10-14(9-12)17-3/h4-5,8-10,15H,6-7,11H2,1-3H3/b5-4+
InChIKeyVZBJYCOELFBBIL-SNAWJCMRSA-N
XLogP2.76
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-[(4-methoxyphenyl)methyl]pent-3-en-1-amine
CID 115629053
(E)-N-[(3,4,5-trimethoxyphenyl)methyl]pent-3-en-1-amine
CID 115629149
(E)-N-[(3,5-dibromo-4-methoxyphenyl)methyl]pent-3-en-1-amine
CID 113236618
(E)-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]pent-3-en-1-amine
CID 115924151
2,6-dibromo-4-[[[(E)-pent-3-enyl]amino]methyl]phenol
CID 107741061
2-methoxy-5-[[[(E)-pent-3-enyl]amino]methyl]phenol
CID 115629089
(E)-N-[(2-bromo-5-methoxyphenyl)methyl]pent-3-en-1-amine
CID 115751591
N-[(3,5-dimethoxyphenyl)methyl]-3-methoxypropan-1-amine
CID 28674357
1-[4-[[[4-[[[4-[[(3,5-dimethoxyphenyl)methylamino]methyl]phenyl]methylamino]methyl]phenyl]methylamino]methyl]phenyl]-N-[[4-[[[4-[[[4-[[(3,5-dimethoxyphenyl)methylamino]methyl]phenyl]methylamino]methyl]phenyl]methylamino]methyl]phenyl]methyl]methanamine
CID 101451225
1-[4-[[[4-[[(3,5-dimethoxyphenyl)methylamino]methyl]phenyl]methylamino]methyl]phenyl]-N-[[4-[[[4-[[(3,5-dimethoxyphenyl)methylamino]methyl]phenyl]methylamino]methyl]phenyl]methyl]methanamine
CID 101451224
N-[[4-[[(3,5-dimethoxyphenyl)methylamino]methyl]phenyl]methyl]-1-[4-[[[4-[[(3,5-dimethoxyphenyl)methylamino]methyl]phenyl]methylamino]methyl]phenyl]methanamine
CID 101451223
(E)-N-[(4-ethoxy-3-methoxyphenyl)methyl]pent-3-en-1-amine
CID 115629151

Frequently Asked Questions

What is the IUPAC name of (E)-N-[(3,5-dimethoxyphenyl)methyl]pent-3-en-1-amine?
The IUPAC name of (E)-N-[(3,5-dimethoxyphenyl)methyl]pent-3-en-1-amine (CID 115628979) is (E)-N-[(3,5-dimethoxyphenyl)methyl]pent-3-en-1-amine.
What is the SMILES notation for (E)-N-[(3,5-dimethoxyphenyl)methyl]pent-3-en-1-amine?
The canonical SMILES for (E)-N-[(3,5-dimethoxyphenyl)methyl]pent-3-en-1-amine is C/C=C/CCNCc1cc(OC)cc(OC)c1.
What is the InChIKey of (E)-N-[(3,5-dimethoxyphenyl)methyl]pent-3-en-1-amine?
The InChIKey is VZBJYCOELFBBIL-SNAWJCMRSA-N. The full InChI is InChI=1S/C14H21NO2/c1-4-5-6-7-15-11-12-8-13(16-2)10-14(9-12)17-3/h4-5,8-10,15H,6-7,11H2,1-3H3/b5-4+.
What are the key properties of (E)-N-[(3,5-dimethoxyphenyl)methyl]pent-3-en-1-amine?
(E)-N-[(3,5-dimethoxyphenyl)methyl]pent-3-en-1-amine has a molecular weight of 235.33 g/mol, XLogP of 2.76, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[(3,5-dimethoxyphenyl)methyl]pent-3-en-1-amine is sourced from PubChem (CID 115628979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).