N',N'-diethyl-N-(8-ethyl-3,4-dihydro-2H-chromen-4-yl)ethane-1,2-diamine

C17H28N2O — CID 82461385

IUPACN',N'-diethyl-N-(8-ethyl-3,4-dihydro-2H-chromen-4-yl)ethane-1,2-diamine
SMILESCCc1cccc2c1OCCC2NCCN(CC)CC
InChIInChI=1S/C17H28N2O/c1-4-14-8-7-9-15-16(10-13-20-17(14)15)18-11-12-19(5-2)6-3/h7-9,16,18H,4-6,10-13H2,1-3H3
InChIKeyWUZYXABUXOWACT-UHFFFAOYSA-N
MW276.42 g/mol
LogP3.00
Rot. Bonds7

About N',N'-diethyl-N-(8-ethyl-3,4-dihydro-2H-chromen-4-yl)ethane-1,2-diamine

N',N'-diethyl-N-(8-ethyl-3,4-dihydro-2H-chromen-4-yl)ethane-1,2-diamine (PubChem CID 82461385) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is N',N'-diethyl-N-(8-ethyl-3,4-dihydro-2H-chromen-4-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN',N'-diethyl-N-(8-ethyl-3,4-dihydro-2H-chromen-4-yl)ethane-1,2-diamine
PubChem CID82461385
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC NameN',N'-diethyl-N-(8-ethyl-3,4-dihydro-2H-chromen-4-yl)ethane-1,2-diamine
SMILESCCc1cccc2c1OCCC2NCCN(CC)CC
InChIInChI=1S/C17H28N2O/c1-4-14-8-7-9-15-16(10-13-20-17(14)15)18-11-12-19(5-2)6-3/h7-9,16,18H,4-6,10-13H2,1-3H3
InChIKeyWUZYXABUXOWACT-UHFFFAOYSA-N
XLogP3.00
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

8-ethyl-N-propyl-3,4-dihydro-2H-chromen-4-amine
CID 43512680
8-ethyl-N-(2-methylpropyl)-3,4-dihydro-2H-chromen-4-amine
CID 82461392
N',N'-diethyl-N-(8-propan-2-yl-3,4-dihydro-2H-chromen-4-yl)propane-1,3-diamine
CID 82461412
8-ethyl-N-(pyridin-4-ylmethyl)-3,4-dihydro-2H-chromen-4-amine
CID 82461396
8-methyl-N-propyl-3,4-dihydro-2H-chromen-4-amine
CID 43511874
N',N'-diethyl-N-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)ethane-1,2-diamine
CID 82461639
N'-cyclopropyl-N-(3,4-dihydro-2H-chromen-4-yl)-N'-methylethane-1,2-diamine
CID 62977569
N-(6-bromo-3,4-dihydro-2H-chromen-4-yl)-N'-ethyl-N'-propylethane-1,2-diamine
CID 103787725
8-fluoro-7-methyl-N-propyl-3,4-dihydro-2H-chromen-4-amine
CID 107659828
N',N'-diethyl-N-(6-methyl-3,4-dihydro-2H-chromen-4-yl)propane-1,3-diamine
CID 82461432
N-(2-ethylsulfonylethyl)-3,4-dihydro-2H-chromen-4-amine
CID 55063038
N-hexyl-8-propan-2-yl-3,4-dihydro-2H-chromen-4-amine
CID 82461406

Frequently Asked Questions

What is the IUPAC name of N',N'-diethyl-N-(8-ethyl-3,4-dihydro-2H-chromen-4-yl)ethane-1,2-diamine?
The IUPAC name of N',N'-diethyl-N-(8-ethyl-3,4-dihydro-2H-chromen-4-yl)ethane-1,2-diamine (CID 82461385) is N',N'-diethyl-N-(8-ethyl-3,4-dihydro-2H-chromen-4-yl)ethane-1,2-diamine.
What is the SMILES notation for N',N'-diethyl-N-(8-ethyl-3,4-dihydro-2H-chromen-4-yl)ethane-1,2-diamine?
The canonical SMILES for N',N'-diethyl-N-(8-ethyl-3,4-dihydro-2H-chromen-4-yl)ethane-1,2-diamine is CCc1cccc2c1OCCC2NCCN(CC)CC.
What is the InChIKey of N',N'-diethyl-N-(8-ethyl-3,4-dihydro-2H-chromen-4-yl)ethane-1,2-diamine?
The InChIKey is WUZYXABUXOWACT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-4-14-8-7-9-15-16(10-13-20-17(14)15)18-11-12-19(5-2)6-3/h7-9,16,18H,4-6,10-13H2,1-3H3.
What are the key properties of N',N'-diethyl-N-(8-ethyl-3,4-dihydro-2H-chromen-4-yl)ethane-1,2-diamine?
N',N'-diethyl-N-(8-ethyl-3,4-dihydro-2H-chromen-4-yl)ethane-1,2-diamine has a molecular weight of 276.42 g/mol, XLogP of 3.00, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-diethyl-N-(8-ethyl-3,4-dihydro-2H-chromen-4-yl)ethane-1,2-diamine is sourced from PubChem (CID 82461385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).