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

C15H24N2O — CID 10562536

IUPAC3-N,3-N-dipropyl-3,4-dihydro-2H-chromene-3,8-diamine
SMILESCCCN(CCC)C1COc2c(N)cccc2C1
InChIInChI=1S/C15H24N2O/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
InChIKeyLEDVDXFVQMJGLT-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.69
Rot. Bonds5

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

3-N,3-N-dipropyl-3,4-dihydro-2H-chromene-3,8-diamine (PubChem CID 10562536) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is 3-N,3-N-dipropyl-3,4-dihydro-2H-chromene-3,8-diamine.

Molecular Properties

Compound Name3-N,3-N-dipropyl-3,4-dihydro-2H-chromene-3,8-diamine
PubChem CID10562536
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name3-N,3-N-dipropyl-3,4-dihydro-2H-chromene-3,8-diamine
SMILESCCCN(CCC)C1COc2c(N)cccc2C1
InChIInChI=1S/C15H24N2O/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
InChIKeyLEDVDXFVQMJGLT-UHFFFAOYSA-N
XLogP2.69
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-methyl-3,4-dihydro-2H-1,4-benzoxazine
CID 649409
2-(2-((Dimethylamino)methyl)phenoxy)-5-methylbenzenamine
CID 10244152
2-(2-((Dimethylamino)methyl)phenoxy)-5-iodoaniline
CID 11176087
3-Allyl-4-(3-isopropylamino-propoxy)-phenylamine
CID 10332272
1-(4-aminophenoxy)-2-[N-(4-aminophenethyl)-N-methylamino]ethane
CID 14645098
4-[[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methoxy]-3,5-dimethylaniline
CID 16103056
4-[[(1R,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methoxy]-3,5-dimethylaniline
CID 16103065
2-(2-((Dimethylamino)methyl)-4-fluorophenoxy)-5-methylbenzenamine
CID 44440497
2-(2-((Dimethylamino)methyl)phenoxy)-5-fluorobenzenamine
CID 44440504
4-Fluoro-N,N-dimethyl-2-(2-amino-4-methylphenoxy)-benzylamine
CID 46229670
3-phenyl-3,4-dihydro-2H-1,4-benzoxazine
CID 12474572
3,4-dihydro-2H-1-benzopyran-8-amine
CID 13757628

Frequently Asked Questions

What is the IUPAC name of 3-N,3-N-dipropyl-3,4-dihydro-2H-chromene-3,8-diamine?
The IUPAC name of 3-N,3-N-dipropyl-3,4-dihydro-2H-chromene-3,8-diamine (CID 10562536) is 3-N,3-N-dipropyl-3,4-dihydro-2H-chromene-3,8-diamine.
What is the SMILES notation for 3-N,3-N-dipropyl-3,4-dihydro-2H-chromene-3,8-diamine?
The canonical SMILES for 3-N,3-N-dipropyl-3,4-dihydro-2H-chromene-3,8-diamine is CCCN(CCC)C1COc2c(N)cccc2C1.
What is the InChIKey of 3-N,3-N-dipropyl-3,4-dihydro-2H-chromene-3,8-diamine?
The InChIKey is LEDVDXFVQMJGLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/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.
What are the key properties of 3-N,3-N-dipropyl-3,4-dihydro-2H-chromene-3,8-diamine?
3-N,3-N-dipropyl-3,4-dihydro-2H-chromene-3,8-diamine has a molecular weight of 248.37 g/mol, XLogP of 2.69, 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 is sourced from PubChem (CID 10562536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).