N-ethyl-2-hexyl-2,6-dimethyl-3,4-dihydrochromen-4-amine

C19H31NO — CID 114712696

IUPACN-ethyl-2-hexyl-2,6-dimethyl-3,4-dihydrochromen-4-amine
SMILESCCCCCCC1(C)CC(NCC)c2cc(C)ccc2O1
InChIInChI=1S/C19H31NO/c1-5-7-8-9-12-19(4)14-17(20-6-2)16-13-15(3)10-11-18(16)21-19/h10-11,13,17,20H,5-9,12,14H2,1-4H3
InChIKeyGRGGWVUXINCZIH-UHFFFAOYSA-N
MW289.46 g/mol
LogP5.16
Rot. Bonds7

About N-ethyl-2-hexyl-2,6-dimethyl-3,4-dihydrochromen-4-amine

N-ethyl-2-hexyl-2,6-dimethyl-3,4-dihydrochromen-4-amine (PubChem CID 114712696) has the molecular formula C19H31NO and a molecular weight of 289.46 g/mol. Its IUPAC name is N-ethyl-2-hexyl-2,6-dimethyl-3,4-dihydrochromen-4-amine.

Molecular Properties

Compound NameN-ethyl-2-hexyl-2,6-dimethyl-3,4-dihydrochromen-4-amine
PubChem CID114712696
Molecular FormulaC19H31NO
Molecular Weight289.46 g/mol
Exact Mass289.24
IUPAC NameN-ethyl-2-hexyl-2,6-dimethyl-3,4-dihydrochromen-4-amine
SMILESCCCCCCC1(C)CC(NCC)c2cc(C)ccc2O1
InChIInChI=1S/C19H31NO/c1-5-7-8-9-12-19(4)14-17(20-6-2)16-13-15(3)10-11-18(16)21-19/h10-11,13,17,20H,5-9,12,14H2,1-4H3
InChIKeyGRGGWVUXINCZIH-UHFFFAOYSA-N
XLogP5.16
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500289.46
LogP ≤ 55.16
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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Related Compounds

2-ethyl-N-hexyl-2,6-dimethyl-3,4-dihydrochromen-4-amine
CID 82462153
(4S)-2-hexyl-2,6-dimethyl-3,4-dihydrochromen-4-ol
CID 104950632
6-butoxy-N,2-diethyl-2-methyl-3,4-dihydrochromen-4-amine
CID 82462351
2-ethyl-2,6-dimethyl-N-[(4-methylphenyl)methyl]-3,4-dihydrochromen-4-amine
CID 82462162
2-(ethoxymethyl)-2,6-dimethyl-N-propyl-3,4-dihydrochromen-4-amine
CID 114712872
N-(2-ethyl-2,6-dimethyl-3,4-dihydrochromen-4-yl)-N',N'-dimethylpropane-1,3-diamine
CID 82462158
N-butyl-2-ethyl-2,7-dimethyl-3,4-dihydrochromen-4-amine
CID 82462139
7-fluoro-2-methyl-2-pentyl-N-propyl-3,4-dihydrochromen-4-amine
CID 114713953
2,6-dimethyl-2-propyl-3,4-dihydrochromen-4-ol
CID 114715147
N-ethyl-2',6-dimethylspiro[3,4-dihydrochromene-2,3'-oxolane]-4-amine
CID 114712757
N-ethyl-3',6-dimethylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-amine
CID 114712701
N-butyl-6-methylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
CID 82462871

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-hexyl-2,6-dimethyl-3,4-dihydrochromen-4-amine?
The IUPAC name of N-ethyl-2-hexyl-2,6-dimethyl-3,4-dihydrochromen-4-amine (CID 114712696) is N-ethyl-2-hexyl-2,6-dimethyl-3,4-dihydrochromen-4-amine.
What is the SMILES notation for N-ethyl-2-hexyl-2,6-dimethyl-3,4-dihydrochromen-4-amine?
The canonical SMILES for N-ethyl-2-hexyl-2,6-dimethyl-3,4-dihydrochromen-4-amine is CCCCCCC1(C)CC(NCC)c2cc(C)ccc2O1.
What is the InChIKey of N-ethyl-2-hexyl-2,6-dimethyl-3,4-dihydrochromen-4-amine?
The InChIKey is GRGGWVUXINCZIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31NO/c1-5-7-8-9-12-19(4)14-17(20-6-2)16-13-15(3)10-11-18(16)21-19/h10-11,13,17,20H,5-9,12,14H2,1-4H3.
What are the key properties of N-ethyl-2-hexyl-2,6-dimethyl-3,4-dihydrochromen-4-amine?
N-ethyl-2-hexyl-2,6-dimethyl-3,4-dihydrochromen-4-amine has a molecular weight of 289.46 g/mol, XLogP of 5.16, 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-2,6-dimethyl-3,4-dihydrochromen-4-amine is sourced from PubChem (CID 114712696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).