3-N,3-N-dipropyl-3,4-dihydro-2H-chromene-3,8-diamine;dihydrochloride

C15H26Cl2N2O — CID 19041574

IUPAC3-N,3-N-dipropyl-3,4-dihydro-2H-chromene-3,8-diamine;dihydrochloride
SMILESCCCN(CCC)C1COc2c(N)cccc2C1.Cl.Cl
InChIInChI=1S/C15H24N2O.2ClH/c1-3-8-17(9-4-2)13-10-12-6-5-7-14(16)15(12)18-11-13;;/h5-7,13H,3-4,8-11,16H2,1-2H3;2*1H
InChIKeyBWYNBSLRYUQZJJ-UHFFFAOYSA-N
MW321.29 g/mol
LogP3.54
Rot. Bonds5

About 3-N,3-N-dipropyl-3,4-dihydro-2H-chromene-3,8-diamine;dihydrochloride

3-N,3-N-dipropyl-3,4-dihydro-2H-chromene-3,8-diamine;dihydrochloride (PubChem CID 19041574) has the molecular formula C15H26Cl2N2O and a molecular weight of 321.29 g/mol. Its IUPAC name is 3-N,3-N-dipropyl-3,4-dihydro-2H-chromene-3,8-diamine;dihydrochloride.

Molecular Properties

Compound Name3-N,3-N-dipropyl-3,4-dihydro-2H-chromene-3,8-diamine;dihydrochloride
PubChem CID19041574
Molecular FormulaC15H26Cl2N2O
Molecular Weight321.29 g/mol
Exact Mass320.14
IUPAC Name3-N,3-N-dipropyl-3,4-dihydro-2H-chromene-3,8-diamine;dihydrochloride
SMILESCCCN(CCC)C1COc2c(N)cccc2C1.Cl.Cl
InChIInChI=1S/C15H24N2O.2ClH/c1-3-8-17(9-4-2)13-10-12-6-5-7-14(16)15(12)18-11-13;;/h5-7,13H,3-4,8-11,16H2,1-2H3;2*1H
InChIKeyBWYNBSLRYUQZJJ-UHFFFAOYSA-N
XLogP3.54
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.29
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-N,3-N-dipropyl-3,4-dihydro-2H-chromene-3,8-diamine;dihydrochloride?
The IUPAC name of 3-N,3-N-dipropyl-3,4-dihydro-2H-chromene-3,8-diamine;dihydrochloride (CID 19041574) is 3-N,3-N-dipropyl-3,4-dihydro-2H-chromene-3,8-diamine;dihydrochloride.
What is the SMILES notation for 3-N,3-N-dipropyl-3,4-dihydro-2H-chromene-3,8-diamine;dihydrochloride?
The canonical SMILES for 3-N,3-N-dipropyl-3,4-dihydro-2H-chromene-3,8-diamine;dihydrochloride is CCCN(CCC)C1COc2c(N)cccc2C1.Cl.Cl.
What is the InChIKey of 3-N,3-N-dipropyl-3,4-dihydro-2H-chromene-3,8-diamine;dihydrochloride?
The InChIKey is BWYNBSLRYUQZJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O.2ClH/c1-3-8-17(9-4-2)13-10-12-6-5-7-14(16)15(12)18-11-13;;/h5-7,13H,3-4,8-11,16H2,1-2H3;2*1H.
What are the key properties of 3-N,3-N-dipropyl-3,4-dihydro-2H-chromene-3,8-diamine;dihydrochloride?
3-N,3-N-dipropyl-3,4-dihydro-2H-chromene-3,8-diamine;dihydrochloride has a molecular weight of 321.29 g/mol, XLogP of 3.54, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N,3-N-dipropyl-3,4-dihydro-2H-chromene-3,8-diamine;dihydrochloride is sourced from PubChem (CID 19041574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).