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

C14H22N2O — CID 54913047

IUPAC1-N-(3,4-dihydro-2H-chromen-4-yl)-2-N,2-N-dimethylpropane-1,2-diamine
SMILESCC(CNC1CCOc2ccccc21)N(C)C
InChIInChI=1S/C14H22N2O/c1-11(16(2)3)10-15-13-8-9-17-14-7-5-4-6-12(13)14/h4-7,11,13,15H,8-10H2,1-3H3
InChIKeyLLHWFNKOLUYLIB-UHFFFAOYSA-N
MW234.34 g/mol
LogP2.05
Rot. Bonds4

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

1-N-(3,4-dihydro-2H-chromen-4-yl)-2-N,2-N-dimethylpropane-1,2-diamine (PubChem CID 54913047) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is 1-N-(3,4-dihydro-2H-chromen-4-yl)-2-N,2-N-dimethylpropane-1,2-diamine.

Molecular Properties

Compound Name1-N-(3,4-dihydro-2H-chromen-4-yl)-2-N,2-N-dimethylpropane-1,2-diamine
PubChem CID54913047
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name1-N-(3,4-dihydro-2H-chromen-4-yl)-2-N,2-N-dimethylpropane-1,2-diamine
SMILESCC(CNC1CCOc2ccccc21)N(C)C
InChIInChI=1S/C14H22N2O/c1-11(16(2)3)10-15-13-8-9-17-14-7-5-4-6-12(13)14/h4-7,11,13,15H,8-10H2,1-3H3
InChIKeyLLHWFNKOLUYLIB-UHFFFAOYSA-N
XLogP2.05
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-cyclopropylpropyl)-3,4-dihydro-2H-chromen-4-amine
CID 115713897
1-(3,4-dihydro-2H-chromen-4-ylamino)butan-2-ol
CID 62365912
N'-(3,4-dihydro-2H-chromen-4-yl)-1-(furan-2-yl)-N,N-dimethylethane-1,2-diamine
CID 43202404
3-(3,4-dihydro-2H-chromen-4-ylamino)-2-methylpropanamide
CID 62364889
2-N,2-N-dimethyl-1-N-(4-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)propane-1,2-diamine
CID 81344254
(4S)-N-(3,3-dimethylbutyl)-3,4-dihydro-2H-chromen-4-amine
CID 94276035
N'-cyclopropyl-N-(3,4-dihydro-2H-chromen-4-yl)-N'-methylethane-1,2-diamine
CID 62977569
N-(3-ethylpentan-2-yl)-3,4-dihydro-2H-chromen-4-amine
CID 63842967
ethane;N-methyl-3,4-dihydro-2H-chromen-4-amine
CID 143399161
2-(3,4-dihydro-2H-chromen-4-ylamino)acetonitrile
CID 62367299
2-N-(3,4-dihydro-2H-chromen-4-yl)-1-N,1-N-dimethylpropane-1,2-diamine
CID 82939350
N-(cyclopropylmethyl)-3,4-dihydro-2H-chromen-4-amine
CID 43190759

Frequently Asked Questions

What is the IUPAC name of 1-N-(3,4-dihydro-2H-chromen-4-yl)-2-N,2-N-dimethylpropane-1,2-diamine?
The IUPAC name of 1-N-(3,4-dihydro-2H-chromen-4-yl)-2-N,2-N-dimethylpropane-1,2-diamine (CID 54913047) is 1-N-(3,4-dihydro-2H-chromen-4-yl)-2-N,2-N-dimethylpropane-1,2-diamine.
What is the SMILES notation for 1-N-(3,4-dihydro-2H-chromen-4-yl)-2-N,2-N-dimethylpropane-1,2-diamine?
The canonical SMILES for 1-N-(3,4-dihydro-2H-chromen-4-yl)-2-N,2-N-dimethylpropane-1,2-diamine is CC(CNC1CCOc2ccccc21)N(C)C.
What is the InChIKey of 1-N-(3,4-dihydro-2H-chromen-4-yl)-2-N,2-N-dimethylpropane-1,2-diamine?
The InChIKey is LLHWFNKOLUYLIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-11(16(2)3)10-15-13-8-9-17-14-7-5-4-6-12(13)14/h4-7,11,13,15H,8-10H2,1-3H3.
What are the key properties of 1-N-(3,4-dihydro-2H-chromen-4-yl)-2-N,2-N-dimethylpropane-1,2-diamine?
1-N-(3,4-dihydro-2H-chromen-4-yl)-2-N,2-N-dimethylpropane-1,2-diamine has a molecular weight of 234.34 g/mol, XLogP of 2.05, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(3,4-dihydro-2H-chromen-4-yl)-2-N,2-N-dimethylpropane-1,2-diamine is sourced from PubChem (CID 54913047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).