5-ethenyl-4-propan-2-ylnaphthalen-2-amine

C15H17N — CID 170275278

IUPAC5-ethenyl-4-propan-2-ylnaphthalen-2-amine
SMILESC=Cc1cccc2cc(N)cc(C(C)C)c12
InChIInChI=1S/C15H17N/c1-4-11-6-5-7-12-8-13(16)9-14(10(2)3)15(11)12/h4-10H,1,16H2,2-3H3
InChIKeyCXBNBMUXTZNXDZ-UHFFFAOYSA-N
MW211.31 g/mol
LogP4.19
Rot. Bonds2

About 5-ethenyl-4-propan-2-ylnaphthalen-2-amine

5-ethenyl-4-propan-2-ylnaphthalen-2-amine (PubChem CID 170275278) has the molecular formula C15H17N and a molecular weight of 211.31 g/mol. Its IUPAC name is 5-ethenyl-4-propan-2-ylnaphthalen-2-amine.

Molecular Properties

Compound Name5-ethenyl-4-propan-2-ylnaphthalen-2-amine
PubChem CID170275278
Molecular FormulaC15H17N
Molecular Weight211.31 g/mol
Exact Mass211.14
IUPAC Name5-ethenyl-4-propan-2-ylnaphthalen-2-amine
SMILESC=Cc1cccc2cc(N)cc(C(C)C)c12
InChIInChI=1S/C15H17N/c1-4-11-6-5-7-12-8-13(16)9-14(10(2)3)15(11)12/h4-10H,1,16H2,2-3H3
InChIKeyCXBNBMUXTZNXDZ-UHFFFAOYSA-N
XLogP4.19
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.31
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-ethenyl-4-propan-2-ylnaphthalen-2-amine?
The IUPAC name of 5-ethenyl-4-propan-2-ylnaphthalen-2-amine (CID 170275278) is 5-ethenyl-4-propan-2-ylnaphthalen-2-amine.
What is the SMILES notation for 5-ethenyl-4-propan-2-ylnaphthalen-2-amine?
The canonical SMILES for 5-ethenyl-4-propan-2-ylnaphthalen-2-amine is C=Cc1cccc2cc(N)cc(C(C)C)c12.
What is the InChIKey of 5-ethenyl-4-propan-2-ylnaphthalen-2-amine?
The InChIKey is CXBNBMUXTZNXDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N/c1-4-11-6-5-7-12-8-13(16)9-14(10(2)3)15(11)12/h4-10H,1,16H2,2-3H3.
What are the key properties of 5-ethenyl-4-propan-2-ylnaphthalen-2-amine?
5-ethenyl-4-propan-2-ylnaphthalen-2-amine has a molecular weight of 211.31 g/mol, XLogP of 4.19, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethenyl-4-propan-2-ylnaphthalen-2-amine is sourced from PubChem (CID 170275278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).