3-pyren-1-ylprop-1-en-1-amine

C19H15N — CID 173238393

IUPAC3-pyren-1-ylprop-1-en-1-amine
SMILESNC=CCc1ccc2ccc3cccc4ccc1c2c34
InChIInChI=1S/C19H15N/c20-12-2-5-13-6-7-16-9-8-14-3-1-4-15-10-11-17(13)19(16)18(14)15/h1-4,6-12H,5,20H2
InChIKeyBNCMKSBANPRMKQ-UHFFFAOYSA-N
MW257.34 g/mol
LogP4.60
Rot. Bonds2

About 3-pyren-1-ylprop-1-en-1-amine

3-pyren-1-ylprop-1-en-1-amine (PubChem CID 173238393) has the molecular formula C19H15N and a molecular weight of 257.34 g/mol. Its IUPAC name is 3-pyren-1-ylprop-1-en-1-amine.

Molecular Properties

Compound Name3-pyren-1-ylprop-1-en-1-amine
PubChem CID173238393
Molecular FormulaC19H15N
Molecular Weight257.34 g/mol
Exact Mass257.12
IUPAC Name3-pyren-1-ylprop-1-en-1-amine
SMILESNC=CCc1ccc2ccc3cccc4ccc1c2c34
InChIInChI=1S/C19H15N/c20-12-2-5-13-6-7-16-9-8-14-3-1-4-15-10-11-17(13)19(16)18(14)15/h1-4,6-12H,5,20H2
InChIKeyBNCMKSBANPRMKQ-UHFFFAOYSA-N
XLogP4.60
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

bis(pyren-1-ylmethanamine);dihydrochloride
CID 159102456
1-[(E)-3-pyren-1-ylprop-1-enyl]naphthalen-2-ol
CID 102214825
1-(7-pyren-1-ylheptyl)pyrene
CID 71394703
1-(22-pyren-1-yldocosyl)pyrene
CID 71394694
1-ethylpyrene;methane
CID 142201759
1-ethylpyrene;propane
CID 144711239
2-amino-3-pyren-1-ylpropanoic acid
CID 53462380
1-[2-[3,5-bis(2-pyren-1-ylethyl)phenyl]ethyl]pyrene
CID 23529986
1-(isocyanomethyl)pyrene
CID 12006963
1-(prop-2-enoxymethyl)pyrene
CID 15180727
ethane;1-(methoxymethyl)pyrene
CID 160555515
pyren-1-amine
CID 15352

Frequently Asked Questions

What is the IUPAC name of 3-pyren-1-ylprop-1-en-1-amine?
The IUPAC name of 3-pyren-1-ylprop-1-en-1-amine (CID 173238393) is 3-pyren-1-ylprop-1-en-1-amine.
What is the SMILES notation for 3-pyren-1-ylprop-1-en-1-amine?
The canonical SMILES for 3-pyren-1-ylprop-1-en-1-amine is NC=CCc1ccc2ccc3cccc4ccc1c2c34.
What is the InChIKey of 3-pyren-1-ylprop-1-en-1-amine?
The InChIKey is BNCMKSBANPRMKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N/c20-12-2-5-13-6-7-16-9-8-14-3-1-4-15-10-11-17(13)19(16)18(14)15/h1-4,6-12H,5,20H2.
What are the key properties of 3-pyren-1-ylprop-1-en-1-amine?
3-pyren-1-ylprop-1-en-1-amine has a molecular weight of 257.34 g/mol, XLogP of 4.60, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyren-1-ylprop-1-en-1-amine is sourced from PubChem (CID 173238393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).