2-cyclohexylethanamine;6,7-diamino-2,2-dimethyl-3,4-dihydrochromen-3-ol

C19H33N3O2 — CID 143110174

IUPAC2-cyclohexylethanamine;6,7-diamino-2,2-dimethyl-3,4-dihydrochromen-3-ol
SMILESCC1(C)Oc2cc(N)c(N)cc2CC1O.NCCC1CCCCC1
InChIInChI=1S/C11H16N2O2.C8H17N/c1-11(2)10(14)4-6-3-7(12)8(13)5-9(6)15-11;9-7-6-8-4-2-1-3-5-8/h3,5,10,14H,4,12-13H2,1-2H3;8H,1-7,9H2
InChIKeyDQWPROTVMQIMBJ-UHFFFAOYSA-N
MW335.49 g/mol
LogP2.84
Rot. Bonds2

About 2-cyclohexylethanamine;6,7-diamino-2,2-dimethyl-3,4-dihydrochromen-3-ol

2-cyclohexylethanamine;6,7-diamino-2,2-dimethyl-3,4-dihydrochromen-3-ol (PubChem CID 143110174) has the molecular formula C19H33N3O2 and a molecular weight of 335.49 g/mol. Its IUPAC name is 2-cyclohexylethanamine;6,7-diamino-2,2-dimethyl-3,4-dihydrochromen-3-ol.

Molecular Properties

Compound Name2-cyclohexylethanamine;6,7-diamino-2,2-dimethyl-3,4-dihydrochromen-3-ol
PubChem CID143110174
Molecular FormulaC19H33N3O2
Molecular Weight335.49 g/mol
Exact Mass335.26
IUPAC Name2-cyclohexylethanamine;6,7-diamino-2,2-dimethyl-3,4-dihydrochromen-3-ol
SMILESCC1(C)Oc2cc(N)c(N)cc2CC1O.NCCC1CCCCC1
InChIInChI=1S/C11H16N2O2.C8H17N/c1-11(2)10(14)4-6-3-7(12)8(13)5-9(6)15-11;9-7-6-8-4-2-1-3-5-8/h3,5,10,14H,4,12-13H2,1-2H3;8H,1-7,9H2
InChIKeyDQWPROTVMQIMBJ-UHFFFAOYSA-N
XLogP2.84
TPSA107.52 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.49
LogP ≤ 52.84
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexylethanamine;6,7-diamino-2,2-dimethyl-3,4-dihydrochromen-3-ol?
The IUPAC name of 2-cyclohexylethanamine;6,7-diamino-2,2-dimethyl-3,4-dihydrochromen-3-ol (CID 143110174) is 2-cyclohexylethanamine;6,7-diamino-2,2-dimethyl-3,4-dihydrochromen-3-ol.
What is the SMILES notation for 2-cyclohexylethanamine;6,7-diamino-2,2-dimethyl-3,4-dihydrochromen-3-ol?
The canonical SMILES for 2-cyclohexylethanamine;6,7-diamino-2,2-dimethyl-3,4-dihydrochromen-3-ol is CC1(C)Oc2cc(N)c(N)cc2CC1O.NCCC1CCCCC1.
What is the InChIKey of 2-cyclohexylethanamine;6,7-diamino-2,2-dimethyl-3,4-dihydrochromen-3-ol?
The InChIKey is DQWPROTVMQIMBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2.C8H17N/c1-11(2)10(14)4-6-3-7(12)8(13)5-9(6)15-11;9-7-6-8-4-2-1-3-5-8/h3,5,10,14H,4,12-13H2,1-2H3;8H,1-7,9H2.
What are the key properties of 2-cyclohexylethanamine;6,7-diamino-2,2-dimethyl-3,4-dihydrochromen-3-ol?
2-cyclohexylethanamine;6,7-diamino-2,2-dimethyl-3,4-dihydrochromen-3-ol has a molecular weight of 335.49 g/mol, XLogP of 2.84, 2 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexylethanamine;6,7-diamino-2,2-dimethyl-3,4-dihydrochromen-3-ol is sourced from PubChem (CID 143110174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).