2H-chromene;hexane-1,6-diamine

C15H24N2O — CID 67675433

IUPAC2H-chromene;hexane-1,6-diamine
SMILESC1=Cc2ccccc2OC1.NCCCCCCN
InChIInChI=1S/C9H8O.C6H16N2/c1-2-6-9-8(4-1)5-3-7-10-9;7-5-3-1-2-4-6-8/h1-6H,7H2;1-8H2
InChIKeyFRHRHQJRZYHHCP-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.56
Rot. Bonds5

About 2H-chromene;hexane-1,6-diamine

2H-chromene;hexane-1,6-diamine (PubChem CID 67675433) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is 2H-chromene;hexane-1,6-diamine.

Molecular Properties

Compound Name2H-chromene;hexane-1,6-diamine
PubChem CID67675433
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name2H-chromene;hexane-1,6-diamine
SMILESC1=Cc2ccccc2OC1.NCCCCCCN
InChIInChI=1S/C9H8O.C6H16N2/c1-2-6-9-8(4-1)5-3-7-10-9;7-5-3-1-2-4-6-8/h1-6H,7H2;1-8H2
InChIKeyFRHRHQJRZYHHCP-UHFFFAOYSA-N
XLogP2.56
TPSA61.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2H-chromene;hexane-1,6-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2H-chromene;gold
CID 87399777
2H-chromene;propane
CID 160650237
CID 87399656
CID 87399656
2H-chromene;methane;molybdenum;vanadium
CID 173308227
2H-chromene;copper;zirconium
CID 174745994
2H-chromene;iron;methane
CID 87751507
2H-chromene;manganese;titanium
CID 174506783
CID 174785352
CID 174785352
CID 174712035
CID 174712035
CID 174654429
CID 174654429
CID 173043361
CID 173043361
azane;2H-chromene;methane;titanium
CID 174569756

Frequently Asked Questions

What is the IUPAC name of 2H-chromene;hexane-1,6-diamine?
The IUPAC name of 2H-chromene;hexane-1,6-diamine (CID 67675433) is 2H-chromene;hexane-1,6-diamine.
What is the SMILES notation for 2H-chromene;hexane-1,6-diamine?
The canonical SMILES for 2H-chromene;hexane-1,6-diamine is C1=Cc2ccccc2OC1.NCCCCCCN.
What is the InChIKey of 2H-chromene;hexane-1,6-diamine?
The InChIKey is FRHRHQJRZYHHCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8O.C6H16N2/c1-2-6-9-8(4-1)5-3-7-10-9;7-5-3-1-2-4-6-8/h1-6H,7H2;1-8H2.
What are the key properties of 2H-chromene;hexane-1,6-diamine?
2H-chromene;hexane-1,6-diamine has a molecular weight of 248.37 g/mol, XLogP of 2.56, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2H-chromene;hexane-1,6-diamine is sourced from PubChem (CID 67675433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).