3-N-ethyl-4-N-methyl-3-N-(2-methylbutyl)-3,4-dihydro-2H-chromene-3,4-diamine

C17H28N2O — CID 79476936

IUPAC3-N-ethyl-4-N-methyl-3-N-(2-methylbutyl)-3,4-dihydro-2H-chromene-3,4-diamine
SMILESCCC(C)CN(CC)C1COc2ccccc2C1NC
InChIInChI=1S/C17H28N2O/c1-5-13(3)11-19(6-2)15-12-20-16-10-8-7-9-14(16)17(15)18-4/h7-10,13,15,17-18H,5-6,11-12H2,1-4H3
InChIKeyXBRBOBRKTSLOOB-UHFFFAOYSA-N
MW276.42 g/mol
LogP3.08
Rot. Bonds6

About 3-N-ethyl-4-N-methyl-3-N-(2-methylbutyl)-3,4-dihydro-2H-chromene-3,4-diamine

3-N-ethyl-4-N-methyl-3-N-(2-methylbutyl)-3,4-dihydro-2H-chromene-3,4-diamine (PubChem CID 79476936) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is 3-N-ethyl-4-N-methyl-3-N-(2-methylbutyl)-3,4-dihydro-2H-chromene-3,4-diamine.

Molecular Properties

Compound Name3-N-ethyl-4-N-methyl-3-N-(2-methylbutyl)-3,4-dihydro-2H-chromene-3,4-diamine
PubChem CID79476936
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC Name3-N-ethyl-4-N-methyl-3-N-(2-methylbutyl)-3,4-dihydro-2H-chromene-3,4-diamine
SMILESCCC(C)CN(CC)C1COc2ccccc2C1NC
InChIInChI=1S/C17H28N2O/c1-5-13(3)11-19(6-2)15-12-20-16-10-8-7-9-14(16)17(15)18-4/h7-10,13,15,17-18H,5-6,11-12H2,1-4H3
InChIKeyXBRBOBRKTSLOOB-UHFFFAOYSA-N
XLogP3.08
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-N-ethyl-4-N-methyl-3-N-(2-methylbutyl)-3,4-dihydro-2H-chromene-3,4-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

3-N,4-N-dimethyl-3-N-[(1-methylpyrrolidin-2-yl)methyl]-3,4-dihydro-2H-chromene-3,4-diamine
CID 79308760
3-N,3-N-diethyl-3,4-dihydro-2H-chromene-3,4-diamine
CID 43184438
3-N,4-N-dimethyl-3-N-[(1-methylpyrrolidin-3-yl)methyl]-3,4-dihydro-2H-chromene-3,4-diamine
CID 63276081
N-methyl-3-(4-propan-2-ylpiperidin-1-yl)-3,4-dihydro-2H-chromen-4-amine
CID 103495167
(3R,4S)-4-methyl-N,N-dipropyl-3,4-dihydro-2H-chromen-3-amine
CID 10538469
3-(3-methylbutylsulfanyl)-N-propyl-3,4-dihydro-2H-chromen-4-amine
CID 107763958
3-(3-methoxypropylsulfanyl)-N-methyl-3,4-dihydro-2H-chromen-4-amine
CID 64628268
3-methyl-N-pentan-2-yl-3,4-dihydro-2H-chromen-4-amine
CID 104523746
[1-(2,3-dihydro-1-benzofuran-3-yl)-2-ethylbutyl]hydrazine
CID 105262585
N-[(1R)-1-cyclohexylethyl]-3-methyl-3,4-dihydro-2H-chromen-4-amine
CID 104524318
3-(2,3-dihydro-1-benzofuran-3-yl)-2-methyl-N-propan-2-ylpropan-1-amine
CID 79229188
(2S)-N-[(3S,4S)-4-(methylamino)-3,4-dihydro-2H-chromen-3-yl]-2-phenylpropanamide
CID 134521718

Frequently Asked Questions

What is the IUPAC name of 3-N-ethyl-4-N-methyl-3-N-(2-methylbutyl)-3,4-dihydro-2H-chromene-3,4-diamine?
The IUPAC name of 3-N-ethyl-4-N-methyl-3-N-(2-methylbutyl)-3,4-dihydro-2H-chromene-3,4-diamine (CID 79476936) is 3-N-ethyl-4-N-methyl-3-N-(2-methylbutyl)-3,4-dihydro-2H-chromene-3,4-diamine.
What is the SMILES notation for 3-N-ethyl-4-N-methyl-3-N-(2-methylbutyl)-3,4-dihydro-2H-chromene-3,4-diamine?
The canonical SMILES for 3-N-ethyl-4-N-methyl-3-N-(2-methylbutyl)-3,4-dihydro-2H-chromene-3,4-diamine is CCC(C)CN(CC)C1COc2ccccc2C1NC.
What is the InChIKey of 3-N-ethyl-4-N-methyl-3-N-(2-methylbutyl)-3,4-dihydro-2H-chromene-3,4-diamine?
The InChIKey is XBRBOBRKTSLOOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-5-13(3)11-19(6-2)15-12-20-16-10-8-7-9-14(16)17(15)18-4/h7-10,13,15,17-18H,5-6,11-12H2,1-4H3.
What are the key properties of 3-N-ethyl-4-N-methyl-3-N-(2-methylbutyl)-3,4-dihydro-2H-chromene-3,4-diamine?
3-N-ethyl-4-N-methyl-3-N-(2-methylbutyl)-3,4-dihydro-2H-chromene-3,4-diamine has a molecular weight of 276.42 g/mol, XLogP of 3.08, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-ethyl-4-N-methyl-3-N-(2-methylbutyl)-3,4-dihydro-2H-chromene-3,4-diamine is sourced from PubChem (CID 79476936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).