N,N-diethylpyren-2-amine

C20H19N — CID 122393290

IUPACN,N-diethylpyren-2-amine
SMILESCCN(CC)c1cc2ccc3cccc4ccc(c1)c2c34
InChIInChI=1S/C20H19N/c1-3-21(4-2)18-12-16-10-8-14-6-5-7-15-9-11-17(13-18)20(16)19(14)15/h5-13H,3-4H2,1-2H3
InChIKeyLNRAITGENYWZSL-UHFFFAOYSA-N
MW273.38 g/mol
LogP5.43
Rot. Bonds3

About N,N-diethylpyren-2-amine

N,N-diethylpyren-2-amine (PubChem CID 122393290) has the molecular formula C20H19N and a molecular weight of 273.38 g/mol. Its IUPAC name is N,N-diethylpyren-2-amine.

Molecular Properties

Compound NameN,N-diethylpyren-2-amine
PubChem CID122393290
Molecular FormulaC20H19N
Molecular Weight273.38 g/mol
Exact Mass273.15
IUPAC NameN,N-diethylpyren-2-amine
SMILESCCN(CC)c1cc2ccc3cccc4ccc(c1)c2c34
InChIInChI=1S/C20H19N/c1-3-21(4-2)18-12-16-10-8-14-6-5-7-15-9-11-17(13-18)20(16)19(14)15/h5-13H,3-4H2,1-2H3
InChIKeyLNRAITGENYWZSL-UHFFFAOYSA-N
XLogP5.43
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500273.38
LogP ≤ 55.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

N,N-diethyl-5-methylnaphthalen-2-amine
CID 22944612
1-N,1-N,8-N,8-N-tetraethylnaphthalene-1,8-diamine
CID 12673049
azane;propane;pyrene
CID 87370632
1-N,1-N,4-N,4-N-tetraethylbenzene-1,4-diamine
CID 14438301
1-N,1-N,4-N,4-N-tetraethylbenzene-1,4-diamine;hydrochloride
CID 70262837
hexacyclo[11.7.1.14,20.02,11.03,8.017,21]docosa-1,3(8),4,6,9,11,13,15,17(21),18,20(22)-undecaene
CID 172997689
triethyl(pyren-2-yl)silane
CID 134844118
N,N-diethyl-1-methylquinolin-1-ium-7-amine
CID 11551873
4-(diethylamino)-2-(pyren-1-yliminomethyl)phenol
CID 162787925
N,N-diethyl-2-methylquinolin-6-amine
CID 23464022
N-(3,5-dimethylphenyl)-N-(4-pyren-2-ylphenyl)pyren-2-amine
CID 90168379
1-N,1-N,8-N,8-N-tetrapropylnaphthalene-1,8-diamine
CID 86051450

Frequently Asked Questions

What is the IUPAC name of N,N-diethylpyren-2-amine?
The IUPAC name of N,N-diethylpyren-2-amine (CID 122393290) is N,N-diethylpyren-2-amine.
What is the SMILES notation for N,N-diethylpyren-2-amine?
The canonical SMILES for N,N-diethylpyren-2-amine is CCN(CC)c1cc2ccc3cccc4ccc(c1)c2c34.
What is the InChIKey of N,N-diethylpyren-2-amine?
The InChIKey is LNRAITGENYWZSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N/c1-3-21(4-2)18-12-16-10-8-14-6-5-7-15-9-11-17(13-18)20(16)19(14)15/h5-13H,3-4H2,1-2H3.
What are the key properties of N,N-diethylpyren-2-amine?
N,N-diethylpyren-2-amine has a molecular weight of 273.38 g/mol, XLogP of 5.43, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethylpyren-2-amine is sourced from PubChem (CID 122393290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).