N,N-dimethyl-1-pyren-1-ylmethanamine

C19H17N — CID 2308805

IUPACN,N-dimethyl-1-pyren-1-ylmethanamine
SMILESCN(C)Cc1ccc2ccc3cccc4ccc1c2c34
InChIInChI=1S/C19H17N/c1-20(2)12-16-9-8-15-7-6-13-4-3-5-14-10-11-17(16)19(15)18(13)14/h3-11H,12H2,1-2H3
InChIKeyUZKFVVJQBSFEFR-UHFFFAOYSA-N
MW259.35 g/mol
LogP4.65
Rot. Bonds2

About N,N-dimethyl-1-pyren-1-ylmethanamine

N,N-dimethyl-1-pyren-1-ylmethanamine (PubChem CID 2308805) has the molecular formula C19H17N and a molecular weight of 259.35 g/mol. Its IUPAC name is N,N-dimethyl-1-pyren-1-ylmethanamine.

Molecular Properties

Compound NameN,N-dimethyl-1-pyren-1-ylmethanamine
PubChem CID2308805
Molecular FormulaC19H17N
Molecular Weight259.35 g/mol
Exact Mass259.14
IUPAC NameN,N-dimethyl-1-pyren-1-ylmethanamine
SMILESCN(C)Cc1ccc2ccc3cccc4ccc1c2c34
InChIInChI=1S/C19H17N/c1-20(2)12-16-9-8-15-7-6-13-4-3-5-14-10-11-17(16)19(15)18(13)14/h3-11H,12H2,1-2H3
InChIKeyUZKFVVJQBSFEFR-UHFFFAOYSA-N
XLogP4.65
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 54.65
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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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-pyren-1-ylmethanamine?
The IUPAC name of N,N-dimethyl-1-pyren-1-ylmethanamine (CID 2308805) is N,N-dimethyl-1-pyren-1-ylmethanamine.
What is the SMILES notation for N,N-dimethyl-1-pyren-1-ylmethanamine?
The canonical SMILES for N,N-dimethyl-1-pyren-1-ylmethanamine is CN(C)Cc1ccc2ccc3cccc4ccc1c2c34.
What is the InChIKey of N,N-dimethyl-1-pyren-1-ylmethanamine?
The InChIKey is UZKFVVJQBSFEFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N/c1-20(2)12-16-9-8-15-7-6-13-4-3-5-14-10-11-17(16)19(15)18(13)14/h3-11H,12H2,1-2H3.
What are the key properties of N,N-dimethyl-1-pyren-1-ylmethanamine?
N,N-dimethyl-1-pyren-1-ylmethanamine has a molecular weight of 259.35 g/mol, XLogP of 4.65, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-pyren-1-ylmethanamine is sourced from PubChem (CID 2308805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).