N-(4-ethylsulfanylbutan-2-yl)-3,4-dihydro-2H-chromen-4-amine

C15H23NOS — CID 115725491

IUPACN-(4-ethylsulfanylbutan-2-yl)-3,4-dihydro-2H-chromen-4-amine
SMILESCCSCCC(C)NC1CCOc2ccccc21
InChIInChI=1S/C15H23NOS/c1-3-18-11-9-12(2)16-14-8-10-17-15-7-5-4-6-13(14)15/h4-7,12,14,16H,3,8-11H2,1-2H3
InChIKeyHMSCTCABQOPZDU-UHFFFAOYSA-N
MW265.42 g/mol
LogP3.63
Rot. Bonds6

About N-(4-ethylsulfanylbutan-2-yl)-3,4-dihydro-2H-chromen-4-amine

N-(4-ethylsulfanylbutan-2-yl)-3,4-dihydro-2H-chromen-4-amine (PubChem CID 115725491) has the molecular formula C15H23NOS and a molecular weight of 265.42 g/mol. Its IUPAC name is N-(4-ethylsulfanylbutan-2-yl)-3,4-dihydro-2H-chromen-4-amine.

Molecular Properties

Compound NameN-(4-ethylsulfanylbutan-2-yl)-3,4-dihydro-2H-chromen-4-amine
PubChem CID115725491
Molecular FormulaC15H23NOS
Molecular Weight265.42 g/mol
Exact Mass265.15
IUPAC NameN-(4-ethylsulfanylbutan-2-yl)-3,4-dihydro-2H-chromen-4-amine
SMILESCCSCCC(C)NC1CCOc2ccccc21
InChIInChI=1S/C15H23NOS/c1-3-18-11-9-12(2)16-14-8-10-17-15-7-5-4-6-13(14)15/h4-7,12,14,16H,3,8-11H2,1-2H3
InChIKeyHMSCTCABQOPZDU-UHFFFAOYSA-N
XLogP3.63
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.42
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(4-methylsulfanylbutan-2-yl)-3,4-dihydro-2H-chromen-4-amine
CID 115721989
2-N-(3,4-dihydro-2H-chromen-4-yl)-1-N,1-N-dimethylpropane-1,2-diamine
CID 82939350
N-(3-ethylpentan-2-yl)-3,4-dihydro-2H-chromen-4-amine
CID 63842967
N-[1-(2-methylphenyl)propan-2-yl]-3,4-dihydro-2H-chromen-4-amine
CID 60943496
N-(1-piperidin-1-ylpropan-2-yl)-3,4-dihydro-2H-chromen-4-amine
CID 43749078
2-(3,4-dihydro-2H-chromen-4-ylamino)-N-pentan-2-ylpropanamide
CID 60722358
3-(3,4-dihydro-2H-chromen-4-ylamino)-N'-hydroxybutanimidamide
CID 77028469
(2R)-2-(2,3,4,5-tetrahydro-1-benzoxepin-5-ylamino)propan-1-ol
CID 103778563
1-N-(3,4-dihydro-2H-chromen-4-yl)-2-N,2-N-dimethylpropane-1,2-diamine
CID 54913047
2-[1-(3,4-dihydro-2H-chromen-4-ylamino)propyl]phenol
CID 43723838
N-[1-(1H-pyrazol-5-yl)ethyl]-3,4-dihydro-2H-chromen-4-amine
CID 54881846
2-(3,4-dihydro-2H-chromen-4-ylamino)-N-pentan-2-ylacetamide
CID 60693874

Frequently Asked Questions

What is the IUPAC name of N-(4-ethylsulfanylbutan-2-yl)-3,4-dihydro-2H-chromen-4-amine?
The IUPAC name of N-(4-ethylsulfanylbutan-2-yl)-3,4-dihydro-2H-chromen-4-amine (CID 115725491) is N-(4-ethylsulfanylbutan-2-yl)-3,4-dihydro-2H-chromen-4-amine.
What is the SMILES notation for N-(4-ethylsulfanylbutan-2-yl)-3,4-dihydro-2H-chromen-4-amine?
The canonical SMILES for N-(4-ethylsulfanylbutan-2-yl)-3,4-dihydro-2H-chromen-4-amine is CCSCCC(C)NC1CCOc2ccccc21.
What is the InChIKey of N-(4-ethylsulfanylbutan-2-yl)-3,4-dihydro-2H-chromen-4-amine?
The InChIKey is HMSCTCABQOPZDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NOS/c1-3-18-11-9-12(2)16-14-8-10-17-15-7-5-4-6-13(14)15/h4-7,12,14,16H,3,8-11H2,1-2H3.
What are the key properties of N-(4-ethylsulfanylbutan-2-yl)-3,4-dihydro-2H-chromen-4-amine?
N-(4-ethylsulfanylbutan-2-yl)-3,4-dihydro-2H-chromen-4-amine has a molecular weight of 265.42 g/mol, XLogP of 3.63, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethylsulfanylbutan-2-yl)-3,4-dihydro-2H-chromen-4-amine is sourced from PubChem (CID 115725491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).