N-prop-2-enyl-9,10-dihydroanthracen-9-amine

C17H17N — CID 62919908

IUPACN-prop-2-enyl-9,10-dihydroanthracen-9-amine
SMILESC=CCNC1c2ccccc2Cc2ccccc21
InChIInChI=1S/C17H17N/c1-2-11-18-17-15-9-5-3-7-13(15)12-14-8-4-6-10-16(14)17/h2-10,17-18H,1,11-12H2
InChIKeyJTPFBVJHITVDQS-UHFFFAOYSA-N
MW235.33 g/mol
LogP3.46
Rot. Bonds3

About N-prop-2-enyl-9,10-dihydroanthracen-9-amine

N-prop-2-enyl-9,10-dihydroanthracen-9-amine (PubChem CID 62919908) has the molecular formula C17H17N and a molecular weight of 235.33 g/mol. Its IUPAC name is N-prop-2-enyl-9,10-dihydroanthracen-9-amine.

Molecular Properties

Compound NameN-prop-2-enyl-9,10-dihydroanthracen-9-amine
PubChem CID62919908
Molecular FormulaC17H17N
Molecular Weight235.33 g/mol
Exact Mass235.14
IUPAC NameN-prop-2-enyl-9,10-dihydroanthracen-9-amine
SMILESC=CCNC1c2ccccc2Cc2ccccc21
InChIInChI=1S/C17H17N/c1-2-11-18-17-15-9-5-3-7-13(15)12-14-8-4-6-10-16(14)17/h2-10,17-18H,1,11-12H2
InChIKeyJTPFBVJHITVDQS-UHFFFAOYSA-N
XLogP3.46
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-prop-2-enyl-9,10-dihydroanthracen-9-amine?
The IUPAC name of N-prop-2-enyl-9,10-dihydroanthracen-9-amine (CID 62919908) is N-prop-2-enyl-9,10-dihydroanthracen-9-amine.
What is the SMILES notation for N-prop-2-enyl-9,10-dihydroanthracen-9-amine?
The canonical SMILES for N-prop-2-enyl-9,10-dihydroanthracen-9-amine is C=CCNC1c2ccccc2Cc2ccccc21.
What is the InChIKey of N-prop-2-enyl-9,10-dihydroanthracen-9-amine?
The InChIKey is JTPFBVJHITVDQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N/c1-2-11-18-17-15-9-5-3-7-13(15)12-14-8-4-6-10-16(14)17/h2-10,17-18H,1,11-12H2.
What are the key properties of N-prop-2-enyl-9,10-dihydroanthracen-9-amine?
N-prop-2-enyl-9,10-dihydroanthracen-9-amine has a molecular weight of 235.33 g/mol, XLogP of 3.46, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-prop-2-enyl-9,10-dihydroanthracen-9-amine is sourced from PubChem (CID 62919908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).