chrysen-6-amine

C18H13N — CID 17534

IUPACchrysen-6-amine
SMILESNc1cc2c3ccccc3ccc2c2ccccc12
InChIInChI=1S/C18H13N/c19-18-11-17-13-6-2-1-5-12(13)9-10-15(17)14-7-3-4-8-16(14)18/h1-11H,19H2
InChIKeyKIVUHCNVDWYUNP-UHFFFAOYSA-N
MW243.31 g/mol
LogP4.73
Rot. Bonds

About chrysen-6-amine

chrysen-6-amine (PubChem CID 17534) has the molecular formula C18H13N and a molecular weight of 243.31 g/mol. Its IUPAC name is chrysen-6-amine.

Molecular Properties

Compound Namechrysen-6-amine
PubChem CID17534
Molecular FormulaC18H13N
Molecular Weight243.31 g/mol
Exact Mass243.10
IUPAC Namechrysen-6-amine
SMILESNc1cc2c3ccccc3ccc2c2ccccc12
InChIInChI=1S/C18H13N/c19-18-11-17-13-6-2-1-5-12(13)9-10-15(17)14-7-3-4-8-16(14)18/h1-11H,19H2
InChIKeyKIVUHCNVDWYUNP-UHFFFAOYSA-N
XLogP4.73
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of chrysen-6-amine?
The IUPAC name of chrysen-6-amine (CID 17534) is chrysen-6-amine.
What is the SMILES notation for chrysen-6-amine?
The canonical SMILES for chrysen-6-amine is Nc1cc2c3ccccc3ccc2c2ccccc12.
What is the InChIKey of chrysen-6-amine?
The InChIKey is KIVUHCNVDWYUNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13N/c19-18-11-17-13-6-2-1-5-12(13)9-10-15(17)14-7-3-4-8-16(14)18/h1-11H,19H2.
What are the key properties of chrysen-6-amine?
chrysen-6-amine has a molecular weight of 243.31 g/mol, XLogP of 4.73, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for chrysen-6-amine is sourced from PubChem (CID 17534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).