N-ethenylanthracen-1-amine

C16H13N — CID 150752959

IUPACN-ethenylanthracen-1-amine
SMILESC=CNc1cccc2cc3ccccc3cc12
InChIInChI=1S/C16H13N/c1-2-17-16-9-5-8-14-10-12-6-3-4-7-13(12)11-15(14)16/h2-11,17H,1H2
InChIKeyJWGMEELUAKPYCH-UHFFFAOYSA-N
MW219.29 g/mol
LogP4.55
Rot. Bonds2

About N-ethenylanthracen-1-amine

N-ethenylanthracen-1-amine (PubChem CID 150752959) has the molecular formula C16H13N and a molecular weight of 219.29 g/mol. Its IUPAC name is N-ethenylanthracen-1-amine.

Molecular Properties

Compound NameN-ethenylanthracen-1-amine
PubChem CID150752959
Molecular FormulaC16H13N
Molecular Weight219.29 g/mol
Exact Mass219.10
IUPAC NameN-ethenylanthracen-1-amine
SMILESC=CNc1cccc2cc3ccccc3cc12
InChIInChI=1S/C16H13N/c1-2-17-16-9-5-8-14-10-12-6-3-4-7-13(12)11-15(14)16/h2-11,17H,1H2
InChIKeyJWGMEELUAKPYCH-UHFFFAOYSA-N
XLogP4.55
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

N-pentaphen-1-ylpentaphen-1-amine
CID 173215967
heptacen-1-ol
CID 150633624
anthracene-1-carbonitrile
CID 3036603
1-penta-1,4-dien-3-ylanthracene
CID 21275728
N-acridin-1-ylformamide
CID 174650417
N-[4-[[4-(pentacen-1-ylamino)phenyl]methyl]phenyl]pentacen-1-amine
CID 134716564
N-anthracen-1-yl-2,2-dimethylpropanamide
CID 54051117
1-prop-2-enyltetracene
CID 162689403
N-[4-(aminomethyl)phenyl]anthracen-1-amine
CID 174815298
1-prop-2-enoxyanthracene
CID 141089148
2-ethenyl-1-methylhexacene
CID 143109680
octacyclo[16.16.0.02,15.04,13.06,11.020,33.022,31.024,29]tetratriaconta-1(34),2,4(13),5,7,9,11,14,16,18,20,22,24,26,28,30,32-heptadecaen-10-ol
CID 87638914

Frequently Asked Questions

What is the IUPAC name of N-ethenylanthracen-1-amine?
The IUPAC name of N-ethenylanthracen-1-amine (CID 150752959) is N-ethenylanthracen-1-amine.
What is the SMILES notation for N-ethenylanthracen-1-amine?
The canonical SMILES for N-ethenylanthracen-1-amine is C=CNc1cccc2cc3ccccc3cc12.
What is the InChIKey of N-ethenylanthracen-1-amine?
The InChIKey is JWGMEELUAKPYCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N/c1-2-17-16-9-5-8-14-10-12-6-3-4-7-13(12)11-15(14)16/h2-11,17H,1H2.
What are the key properties of N-ethenylanthracen-1-amine?
N-ethenylanthracen-1-amine has a molecular weight of 219.29 g/mol, XLogP of 4.55, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethenylanthracen-1-amine is sourced from PubChem (CID 150752959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).