(Z)-5-(3,4-dihydro-2H-chromen-4-yl)-N-(2-methoxyethyl)-4-methylpent-3-en-1-amine

C18H27NO2 — CID 104772468

IUPAC(Z)-5-(3,4-dihydro-2H-chromen-4-yl)-N-(2-methoxyethyl)-4-methylpent-3-en-1-amine
SMILESCOCCNCC/C=C(/C)CC1CCOc2ccccc21
InChIInChI=1S/C18H27NO2/c1-15(6-5-10-19-11-13-20-2)14-16-9-12-21-18-8-4-3-7-17(16)18/h3-4,6-8,16,19H,5,9-14H2,1-2H3/b15-6-
InChIKeyBHSSIHCDJQWWSH-UUASQNMZSA-N
MW289.42 g/mol
LogP3.52
Rot. Bonds8

About (Z)-5-(3,4-dihydro-2H-chromen-4-yl)-N-(2-methoxyethyl)-4-methylpent-3-en-1-amine

(Z)-5-(3,4-dihydro-2H-chromen-4-yl)-N-(2-methoxyethyl)-4-methylpent-3-en-1-amine (PubChem CID 104772468) has the molecular formula C18H27NO2 and a molecular weight of 289.42 g/mol. Its IUPAC name is (Z)-5-(3,4-dihydro-2H-chromen-4-yl)-N-(2-methoxyethyl)-4-methylpent-3-en-1-amine.

Molecular Properties

Compound Name(Z)-5-(3,4-dihydro-2H-chromen-4-yl)-N-(2-methoxyethyl)-4-methylpent-3-en-1-amine
PubChem CID104772468
Molecular FormulaC18H27NO2
Molecular Weight289.42 g/mol
Exact Mass289.20
IUPAC Name(Z)-5-(3,4-dihydro-2H-chromen-4-yl)-N-(2-methoxyethyl)-4-methylpent-3-en-1-amine
SMILESCOCCNCC/C=C(/C)CC1CCOc2ccccc21
InChIInChI=1S/C18H27NO2/c1-15(6-5-10-19-11-13-20-2)14-16-9-12-21-18-8-4-3-7-17(16)18/h3-4,6-8,16,19H,5,9-14H2,1-2H3/b15-6-
InChIKeyBHSSIHCDJQWWSH-UUASQNMZSA-N
XLogP3.52
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 53.52
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

(Z)-N-tert-butyl-5-(3,4-dihydro-2H-chromen-4-yl)-4-methylpent-3-en-1-amine
CID 104772466
N-(3,4-dihydro-2H-chromen-4-ylmethyl)-4-methoxybutan-1-amine
CID 115756534
1-(3,4-dihydro-2H-chromen-4-yl)propan-2-one
CID 14203080
N'-(2,3-dihydro-1-benzofuran-3-ylmethyl)-N-(2-methoxyethyl)ethane-1,2-diamine
CID 113405504
1-cyclopropyl-N-(3,4-dihydro-2H-chromen-4-ylmethyl)methanamine
CID 63708653
1-(3,4-dihydro-2H-chromen-4-yl)-3-methoxypentan-2-one
CID 116707180
(4R)-N-(3-methoxypropyl)-3,4-dihydro-2H-chromen-4-amine
CID 7287154
3-(3,4-dihydro-2H-chromen-4-yl)propanal
CID 104771097
N-(3,4-dihydro-2H-chromen-4-ylmethyl)acetamide
CID 110709223
1-(3,4-dihydro-2H-chromen-4-yl)-3-ethoxy-3-ethylpentan-2-one
CID 116747190
(4R)-4-(iodomethyl)-3,4-dihydro-2H-chromene
CID 92908096
2-(3,4-dihydro-2H-chromen-4-yl)-N-[(3,4-dimethoxyphenyl)methyl]acetamide
CID 110680468

Frequently Asked Questions

What is the IUPAC name of (Z)-5-(3,4-dihydro-2H-chromen-4-yl)-N-(2-methoxyethyl)-4-methylpent-3-en-1-amine?
The IUPAC name of (Z)-5-(3,4-dihydro-2H-chromen-4-yl)-N-(2-methoxyethyl)-4-methylpent-3-en-1-amine (CID 104772468) is (Z)-5-(3,4-dihydro-2H-chromen-4-yl)-N-(2-methoxyethyl)-4-methylpent-3-en-1-amine.
What is the SMILES notation for (Z)-5-(3,4-dihydro-2H-chromen-4-yl)-N-(2-methoxyethyl)-4-methylpent-3-en-1-amine?
The canonical SMILES for (Z)-5-(3,4-dihydro-2H-chromen-4-yl)-N-(2-methoxyethyl)-4-methylpent-3-en-1-amine is COCCNCC/C=C(/C)CC1CCOc2ccccc21.
What is the InChIKey of (Z)-5-(3,4-dihydro-2H-chromen-4-yl)-N-(2-methoxyethyl)-4-methylpent-3-en-1-amine?
The InChIKey is BHSSIHCDJQWWSH-UUASQNMZSA-N. The full InChI is InChI=1S/C18H27NO2/c1-15(6-5-10-19-11-13-20-2)14-16-9-12-21-18-8-4-3-7-17(16)18/h3-4,6-8,16,19H,5,9-14H2,1-2H3/b15-6-.
What are the key properties of (Z)-5-(3,4-dihydro-2H-chromen-4-yl)-N-(2-methoxyethyl)-4-methylpent-3-en-1-amine?
(Z)-5-(3,4-dihydro-2H-chromen-4-yl)-N-(2-methoxyethyl)-4-methylpent-3-en-1-amine has a molecular weight of 289.42 g/mol, XLogP of 3.52, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-5-(3,4-dihydro-2H-chromen-4-yl)-N-(2-methoxyethyl)-4-methylpent-3-en-1-amine is sourced from PubChem (CID 104772468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).