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

C19H32N2O — CID 82461412

IUPACN',N'-diethyl-N-(8-propan-2-yl-3,4-dihydro-2H-chromen-4-yl)propane-1,3-diamine
SMILESCCN(CC)CCCNC1CCOc2c(C(C)C)cccc21
InChIInChI=1S/C19H32N2O/c1-5-21(6-2)13-8-12-20-18-11-14-22-19-16(15(3)4)9-7-10-17(18)19/h7,9-10,15,18,20H,5-6,8,11-14H2,1-4H3
InChIKeyGPHWDQHFLCMQNL-UHFFFAOYSA-N
MW304.48 g/mol
LogP3.96
Rot. Bonds8

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

N',N'-diethyl-N-(8-propan-2-yl-3,4-dihydro-2H-chromen-4-yl)propane-1,3-diamine (PubChem CID 82461412) has the molecular formula C19H32N2O and a molecular weight of 304.48 g/mol. Its IUPAC name is N',N'-diethyl-N-(8-propan-2-yl-3,4-dihydro-2H-chromen-4-yl)propane-1,3-diamine.

Molecular Properties

Compound NameN',N'-diethyl-N-(8-propan-2-yl-3,4-dihydro-2H-chromen-4-yl)propane-1,3-diamine
PubChem CID82461412
Molecular FormulaC19H32N2O
Molecular Weight304.48 g/mol
Exact Mass304.25
IUPAC NameN',N'-diethyl-N-(8-propan-2-yl-3,4-dihydro-2H-chromen-4-yl)propane-1,3-diamine
SMILESCCN(CC)CCCNC1CCOc2c(C(C)C)cccc21
InChIInChI=1S/C19H32N2O/c1-5-21(6-2)13-8-12-20-18-11-14-22-19-16(15(3)4)9-7-10-17(18)19/h7,9-10,15,18,20H,5-6,8,11-14H2,1-4H3
InChIKeyGPHWDQHFLCMQNL-UHFFFAOYSA-N
XLogP3.96
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.48
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N',N'-diethyl-N-(8-propan-2-yl-3,4-dihydro-2H-chromen-4-yl)propane-1,3-diamine?
The IUPAC name of N',N'-diethyl-N-(8-propan-2-yl-3,4-dihydro-2H-chromen-4-yl)propane-1,3-diamine (CID 82461412) is N',N'-diethyl-N-(8-propan-2-yl-3,4-dihydro-2H-chromen-4-yl)propane-1,3-diamine.
What is the SMILES notation for N',N'-diethyl-N-(8-propan-2-yl-3,4-dihydro-2H-chromen-4-yl)propane-1,3-diamine?
The canonical SMILES for N',N'-diethyl-N-(8-propan-2-yl-3,4-dihydro-2H-chromen-4-yl)propane-1,3-diamine is CCN(CC)CCCNC1CCOc2c(C(C)C)cccc21.
What is the InChIKey of N',N'-diethyl-N-(8-propan-2-yl-3,4-dihydro-2H-chromen-4-yl)propane-1,3-diamine?
The InChIKey is GPHWDQHFLCMQNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N2O/c1-5-21(6-2)13-8-12-20-18-11-14-22-19-16(15(3)4)9-7-10-17(18)19/h7,9-10,15,18,20H,5-6,8,11-14H2,1-4H3.
What are the key properties of N',N'-diethyl-N-(8-propan-2-yl-3,4-dihydro-2H-chromen-4-yl)propane-1,3-diamine?
N',N'-diethyl-N-(8-propan-2-yl-3,4-dihydro-2H-chromen-4-yl)propane-1,3-diamine has a molecular weight of 304.48 g/mol, XLogP of 3.96, 8 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-propan-2-yl-3,4-dihydro-2H-chromen-4-yl)propane-1,3-diamine is sourced from PubChem (CID 82461412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).