N-(2-ethyl-2-methyl-3,4-dihydrochromen-4-yl)-N',N'-dimethylpropane-1,3-diamine

C17H28N2O — CID 82462120

IUPACN-(2-ethyl-2-methyl-3,4-dihydrochromen-4-yl)-N',N'-dimethylpropane-1,3-diamine
SMILESCCC1(C)CC(NCCCN(C)C)c2ccccc2O1
InChIInChI=1S/C17H28N2O/c1-5-17(2)13-15(18-11-8-12-19(3)4)14-9-6-7-10-16(14)20-17/h6-7,9-10,15,18H,5,8,11-13H2,1-4H3
InChIKeyIGFSXPUXSPEGLB-UHFFFAOYSA-N
MW276.42 g/mol
LogP3.22
Rot. Bonds6

About N-(2-ethyl-2-methyl-3,4-dihydrochromen-4-yl)-N',N'-dimethylpropane-1,3-diamine

N-(2-ethyl-2-methyl-3,4-dihydrochromen-4-yl)-N',N'-dimethylpropane-1,3-diamine (PubChem CID 82462120) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is N-(2-ethyl-2-methyl-3,4-dihydrochromen-4-yl)-N',N'-dimethylpropane-1,3-diamine.

Molecular Properties

Compound NameN-(2-ethyl-2-methyl-3,4-dihydrochromen-4-yl)-N',N'-dimethylpropane-1,3-diamine
PubChem CID82462120
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC NameN-(2-ethyl-2-methyl-3,4-dihydrochromen-4-yl)-N',N'-dimethylpropane-1,3-diamine
SMILESCCC1(C)CC(NCCCN(C)C)c2ccccc2O1
InChIInChI=1S/C17H28N2O/c1-5-17(2)13-15(18-11-8-12-19(3)4)14-9-6-7-10-16(14)20-17/h6-7,9-10,15,18H,5,8,11-13H2,1-4H3
InChIKeyIGFSXPUXSPEGLB-UHFFFAOYSA-N
XLogP3.22
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 ≤ 53.22
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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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-(2-ethyl-2-methyl-3,4-dihydrochromen-4-yl)-N',N'-dimethylpropane-1,3-diamine?
The IUPAC name of N-(2-ethyl-2-methyl-3,4-dihydrochromen-4-yl)-N',N'-dimethylpropane-1,3-diamine (CID 82462120) is N-(2-ethyl-2-methyl-3,4-dihydrochromen-4-yl)-N',N'-dimethylpropane-1,3-diamine.
What is the SMILES notation for N-(2-ethyl-2-methyl-3,4-dihydrochromen-4-yl)-N',N'-dimethylpropane-1,3-diamine?
The canonical SMILES for N-(2-ethyl-2-methyl-3,4-dihydrochromen-4-yl)-N',N'-dimethylpropane-1,3-diamine is CCC1(C)CC(NCCCN(C)C)c2ccccc2O1.
What is the InChIKey of N-(2-ethyl-2-methyl-3,4-dihydrochromen-4-yl)-N',N'-dimethylpropane-1,3-diamine?
The InChIKey is IGFSXPUXSPEGLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-5-17(2)13-15(18-11-8-12-19(3)4)14-9-6-7-10-16(14)20-17/h6-7,9-10,15,18H,5,8,11-13H2,1-4H3.
What are the key properties of N-(2-ethyl-2-methyl-3,4-dihydrochromen-4-yl)-N',N'-dimethylpropane-1,3-diamine?
N-(2-ethyl-2-methyl-3,4-dihydrochromen-4-yl)-N',N'-dimethylpropane-1,3-diamine has a molecular weight of 276.42 g/mol, XLogP of 3.22, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethyl-2-methyl-3,4-dihydrochromen-4-yl)-N',N'-dimethylpropane-1,3-diamine is sourced from PubChem (CID 82462120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).