(Z)-3-(2-ethyl-5-methoxyphenyl)-N,N-bis(prop-2-enyl)pent-3-en-1-amine

C20H29NO — CID 168928022

IUPAC(Z)-3-(2-ethyl-5-methoxyphenyl)-N,N-bis(prop-2-enyl)pent-3-en-1-amine
SMILESC=CCN(CC=C)CC/C(=C/C)c1cc(OC)ccc1CC
InChIInChI=1S/C20H29NO/c1-6-13-21(14-7-2)15-12-18(9-4)20-16-19(22-5)11-10-17(20)8-3/h6-7,9-11,16H,1-2,8,12-15H2,3-5H3/b18-9-
InChIKeyZLGOPHZFOOHXQY-NVMNQCDNSA-N
MW299.46 g/mol
LogP4.72
Rot. Bonds10

About (Z)-3-(2-ethyl-5-methoxyphenyl)-N,N-bis(prop-2-enyl)pent-3-en-1-amine

(Z)-3-(2-ethyl-5-methoxyphenyl)-N,N-bis(prop-2-enyl)pent-3-en-1-amine (PubChem CID 168928022) has the molecular formula C20H29NO and a molecular weight of 299.46 g/mol. Its IUPAC name is (Z)-3-(2-ethyl-5-methoxyphenyl)-N,N-bis(prop-2-enyl)pent-3-en-1-amine.

Molecular Properties

Compound Name(Z)-3-(2-ethyl-5-methoxyphenyl)-N,N-bis(prop-2-enyl)pent-3-en-1-amine
PubChem CID168928022
Molecular FormulaC20H29NO
Molecular Weight299.46 g/mol
Exact Mass299.22
IUPAC Name(Z)-3-(2-ethyl-5-methoxyphenyl)-N,N-bis(prop-2-enyl)pent-3-en-1-amine
SMILESC=CCN(CC=C)CC/C(=C/C)c1cc(OC)ccc1CC
InChIInChI=1S/C20H29NO/c1-6-13-21(14-7-2)15-12-18(9-4)20-16-19(22-5)11-10-17(20)8-3/h6-7,9-11,16H,1-2,8,12-15H2,3-5H3/b18-9-
InChIKeyZLGOPHZFOOHXQY-NVMNQCDNSA-N
XLogP4.72
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.46
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-ethyl-4-methoxy-2-prop-1-en-2-ylbenzene
CID 70233927
2-[(2-chloro-4-methoxyphenyl)methyl-prop-2-enylamino]ethanol
CID 111824360
methyl 2-ethyl-5-methoxybenzoate
CID 89096132
2-hydroxy-5-methoxy-N-(2-methoxyethyl)-N-prop-2-enylbenzamide
CID 103339084
3-[2-(4-methoxyphenyl)ethyl-prop-2-enylamino]propanoic acid
CID 82327972
2-[(2,5-dimethoxyphenyl)methyl-prop-2-enylamino]acetic acid
CID 39364528
5-methoxy-2-[[2-methoxyethyl(prop-2-enyl)amino]methyl]aniline
CID 103339303
1-but-3-enyl-2-ethyl-4-methoxybenzene
CID 83941580
(E)-3-(2-ethyl-4-methoxyphenyl)hex-2-enoic acid
CID 83959086
2-bromo-5-methoxy-N,N-bis(prop-2-enyl)benzamide
CID 60636105
2-[(3Z)-hepta-1,3-dien-4-yl]-4-methoxy-1-methylbenzene
CID 89339234
ethane;1-ethyl-4-methoxy-2-methylbenzene
CID 142129466

Frequently Asked Questions

What is the IUPAC name of (Z)-3-(2-ethyl-5-methoxyphenyl)-N,N-bis(prop-2-enyl)pent-3-en-1-amine?
The IUPAC name of (Z)-3-(2-ethyl-5-methoxyphenyl)-N,N-bis(prop-2-enyl)pent-3-en-1-amine (CID 168928022) is (Z)-3-(2-ethyl-5-methoxyphenyl)-N,N-bis(prop-2-enyl)pent-3-en-1-amine.
What is the SMILES notation for (Z)-3-(2-ethyl-5-methoxyphenyl)-N,N-bis(prop-2-enyl)pent-3-en-1-amine?
The canonical SMILES for (Z)-3-(2-ethyl-5-methoxyphenyl)-N,N-bis(prop-2-enyl)pent-3-en-1-amine is C=CCN(CC=C)CC/C(=C/C)c1cc(OC)ccc1CC.
What is the InChIKey of (Z)-3-(2-ethyl-5-methoxyphenyl)-N,N-bis(prop-2-enyl)pent-3-en-1-amine?
The InChIKey is ZLGOPHZFOOHXQY-NVMNQCDNSA-N. The full InChI is InChI=1S/C20H29NO/c1-6-13-21(14-7-2)15-12-18(9-4)20-16-19(22-5)11-10-17(20)8-3/h6-7,9-11,16H,1-2,8,12-15H2,3-5H3/b18-9-.
What are the key properties of (Z)-3-(2-ethyl-5-methoxyphenyl)-N,N-bis(prop-2-enyl)pent-3-en-1-amine?
(Z)-3-(2-ethyl-5-methoxyphenyl)-N,N-bis(prop-2-enyl)pent-3-en-1-amine has a molecular weight of 299.46 g/mol, XLogP of 4.72, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-(2-ethyl-5-methoxyphenyl)-N,N-bis(prop-2-enyl)pent-3-en-1-amine is sourced from PubChem (CID 168928022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).