1-(3,4-dihydro-2H-chromen-4-yl)-3-N,3-N-diethyl-3-methylbutane-2,3-diamine

C18H30N2O — CID 104770463

IUPAC1-(3,4-dihydro-2H-chromen-4-yl)-3-N,3-N-diethyl-3-methylbutane-2,3-diamine
SMILESCCN(CC)C(C)(C)C(N)CC1CCOc2ccccc21
InChIInChI=1S/C18H30N2O/c1-5-20(6-2)18(3,4)17(19)13-14-11-12-21-16-10-8-7-9-15(14)16/h7-10,14,17H,5-6,11-13,19H2,1-4H3
InChIKeyZHINDHPJFPHZJD-UHFFFAOYSA-N
MW290.45 g/mol
LogP3.39
Rot. Bonds6

About 1-(3,4-dihydro-2H-chromen-4-yl)-3-N,3-N-diethyl-3-methylbutane-2,3-diamine

1-(3,4-dihydro-2H-chromen-4-yl)-3-N,3-N-diethyl-3-methylbutane-2,3-diamine (PubChem CID 104770463) has the molecular formula C18H30N2O and a molecular weight of 290.45 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-chromen-4-yl)-3-N,3-N-diethyl-3-methylbutane-2,3-diamine.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-chromen-4-yl)-3-N,3-N-diethyl-3-methylbutane-2,3-diamine
PubChem CID104770463
Molecular FormulaC18H30N2O
Molecular Weight290.45 g/mol
Exact Mass290.24
IUPAC Name1-(3,4-dihydro-2H-chromen-4-yl)-3-N,3-N-diethyl-3-methylbutane-2,3-diamine
SMILESCCN(CC)C(C)(C)C(N)CC1CCOc2ccccc21
InChIInChI=1S/C18H30N2O/c1-5-20(6-2)18(3,4)17(19)13-14-11-12-21-16-10-8-7-9-15(14)16/h7-10,14,17H,5-6,11-13,19H2,1-4H3
InChIKeyZHINDHPJFPHZJD-UHFFFAOYSA-N
XLogP3.39
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3,4-dihydro-2H-chromen-4-ylmethyl(ethyl)amino]-2-methylpropanoic acid
CID 104768917
ethane;4-ethyl-3,4-dihydro-2H-chromene
CID 169111717
[(4R)-3,4-dihydro-2H-chromen-4-yl]methanamine
CID 51887493
[(4S)-3,4-dihydro-2H-chromen-4-yl]methanamine
CID 51887495
2-(3,4-dihydro-2H-chromen-4-yl)-1-(4-ethylphenyl)ethanamine
CID 104770116
1-(3,4-dihydro-2H-chromen-4-yl)hexan-2-ol
CID 104769238
2-(3,4-dihydro-2H-chromen-4-yl)-1-(2,2-dimethylcyclopropyl)ethanamine
CID 107004950
1-(3,4-dihydro-2H-chromen-4-yl)-3-propoxypropan-2-amine
CID 104770299
1-(3,4-dihydro-2H-chromen-4-yl)-N-ethyl-4,4-dimethylpentan-2-amine
CID 104770351
1-(3,4-dihydro-2H-chromen-4-yl)-N-methylbutan-2-amine
CID 104770168
1-(3,4-dihydro-2H-chromen-4-yl)-4-propoxybutan-2-amine
CID 105179792
3-(3,4-dihydro-2H-chromen-4-yl)-2-fluoropropan-1-amine
CID 104772597

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-2H-chromen-4-yl)-3-N,3-N-diethyl-3-methylbutane-2,3-diamine?
The IUPAC name of 1-(3,4-dihydro-2H-chromen-4-yl)-3-N,3-N-diethyl-3-methylbutane-2,3-diamine (CID 104770463) is 1-(3,4-dihydro-2H-chromen-4-yl)-3-N,3-N-diethyl-3-methylbutane-2,3-diamine.
What is the SMILES notation for 1-(3,4-dihydro-2H-chromen-4-yl)-3-N,3-N-diethyl-3-methylbutane-2,3-diamine?
The canonical SMILES for 1-(3,4-dihydro-2H-chromen-4-yl)-3-N,3-N-diethyl-3-methylbutane-2,3-diamine is CCN(CC)C(C)(C)C(N)CC1CCOc2ccccc21.
What is the InChIKey of 1-(3,4-dihydro-2H-chromen-4-yl)-3-N,3-N-diethyl-3-methylbutane-2,3-diamine?
The InChIKey is ZHINDHPJFPHZJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O/c1-5-20(6-2)18(3,4)17(19)13-14-11-12-21-16-10-8-7-9-15(14)16/h7-10,14,17H,5-6,11-13,19H2,1-4H3.
What are the key properties of 1-(3,4-dihydro-2H-chromen-4-yl)-3-N,3-N-diethyl-3-methylbutane-2,3-diamine?
1-(3,4-dihydro-2H-chromen-4-yl)-3-N,3-N-diethyl-3-methylbutane-2,3-diamine has a molecular weight of 290.45 g/mol, XLogP of 3.39, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dihydro-2H-chromen-4-yl)-3-N,3-N-diethyl-3-methylbutane-2,3-diamine is sourced from PubChem (CID 104770463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).