N-ethyl-2-hexyl-3,4-dihydro-2H-chromen-4-amine

C17H27NO — CID 114712202

IUPACN-ethyl-2-hexyl-3,4-dihydro-2H-chromen-4-amine
SMILESCCCCCCC1CC(NCC)c2ccccc2O1
InChIInChI=1S/C17H27NO/c1-3-5-6-7-10-14-13-16(18-4-2)15-11-8-9-12-17(15)19-14/h8-9,11-12,14,16,18H,3-7,10,13H2,1-2H3
InChIKeyUFIPQURSXWKVIO-UHFFFAOYSA-N
MW261.41 g/mol
LogP4.46
Rot. Bonds7

About N-ethyl-2-hexyl-3,4-dihydro-2H-chromen-4-amine

N-ethyl-2-hexyl-3,4-dihydro-2H-chromen-4-amine (PubChem CID 114712202) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is N-ethyl-2-hexyl-3,4-dihydro-2H-chromen-4-amine.

Molecular Properties

Compound NameN-ethyl-2-hexyl-3,4-dihydro-2H-chromen-4-amine
PubChem CID114712202
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC NameN-ethyl-2-hexyl-3,4-dihydro-2H-chromen-4-amine
SMILESCCCCCCC1CC(NCC)c2ccccc2O1
InChIInChI=1S/C17H27NO/c1-3-5-6-7-10-14-13-16(18-4-2)15-11-8-9-12-17(15)19-14/h8-9,11-12,14,16,18H,3-7,10,13H2,1-2H3
InChIKeyUFIPQURSXWKVIO-UHFFFAOYSA-N
XLogP4.46
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-hexyl-3,4-dihydro-2H-chromen-4-amine?
The IUPAC name of N-ethyl-2-hexyl-3,4-dihydro-2H-chromen-4-amine (CID 114712202) is N-ethyl-2-hexyl-3,4-dihydro-2H-chromen-4-amine.
What is the SMILES notation for N-ethyl-2-hexyl-3,4-dihydro-2H-chromen-4-amine?
The canonical SMILES for N-ethyl-2-hexyl-3,4-dihydro-2H-chromen-4-amine is CCCCCCC1CC(NCC)c2ccccc2O1.
What is the InChIKey of N-ethyl-2-hexyl-3,4-dihydro-2H-chromen-4-amine?
The InChIKey is UFIPQURSXWKVIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-3-5-6-7-10-14-13-16(18-4-2)15-11-8-9-12-17(15)19-14/h8-9,11-12,14,16,18H,3-7,10,13H2,1-2H3.
What are the key properties of N-ethyl-2-hexyl-3,4-dihydro-2H-chromen-4-amine?
N-ethyl-2-hexyl-3,4-dihydro-2H-chromen-4-amine has a molecular weight of 261.41 g/mol, XLogP of 4.46, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-hexyl-3,4-dihydro-2H-chromen-4-amine is sourced from PubChem (CID 114712202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).