1-naphthalen-2-ylethanamine;(3Z)-penta-1,3-diene

C17H21N — CID 153400153

IUPAC1-naphthalen-2-ylethanamine;(3Z)-penta-1,3-diene
SMILESC=C/C=C\C.CC(N)c1ccc2ccccc2c1
InChIInChI=1S/C12H13N.C5H8/c1-9(13)11-7-6-10-4-2-3-5-12(10)8-11;1-3-5-4-2/h2-9H,13H2,1H3;3-5H,1H2,2H3/b;5-4-
InChIKeyNMFUZWSKPWRUDJ-GUHKXDMSSA-N
MW239.36 g/mol
LogP4.61
Rot. Bonds2

About 1-naphthalen-2-ylethanamine;(3Z)-penta-1,3-diene

1-naphthalen-2-ylethanamine;(3Z)-penta-1,3-diene (PubChem CID 153400153) has the molecular formula C17H21N and a molecular weight of 239.36 g/mol. Its IUPAC name is 1-naphthalen-2-ylethanamine;(3Z)-penta-1,3-diene.

Molecular Properties

Compound Name1-naphthalen-2-ylethanamine;(3Z)-penta-1,3-diene
PubChem CID153400153
Molecular FormulaC17H21N
Molecular Weight239.36 g/mol
Exact Mass239.17
IUPAC Name1-naphthalen-2-ylethanamine;(3Z)-penta-1,3-diene
SMILESC=C/C=C\C.CC(N)c1ccc2ccccc2c1
InChIInChI=1S/C12H13N.C5H8/c1-9(13)11-7-6-10-4-2-3-5-12(10)8-11;1-3-5-4-2/h2-9H,13H2,1H3;3-5H,1H2,2H3/b;5-4-
InChIKeyNMFUZWSKPWRUDJ-GUHKXDMSSA-N
XLogP4.61
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-naphthalen-2-ylethanamine;(3Z)-penta-1,3-diene?
The IUPAC name of 1-naphthalen-2-ylethanamine;(3Z)-penta-1,3-diene (CID 153400153) is 1-naphthalen-2-ylethanamine;(3Z)-penta-1,3-diene.
What is the SMILES notation for 1-naphthalen-2-ylethanamine;(3Z)-penta-1,3-diene?
The canonical SMILES for 1-naphthalen-2-ylethanamine;(3Z)-penta-1,3-diene is C=C/C=C\C.CC(N)c1ccc2ccccc2c1.
What is the InChIKey of 1-naphthalen-2-ylethanamine;(3Z)-penta-1,3-diene?
The InChIKey is NMFUZWSKPWRUDJ-GUHKXDMSSA-N. The full InChI is InChI=1S/C12H13N.C5H8/c1-9(13)11-7-6-10-4-2-3-5-12(10)8-11;1-3-5-4-2/h2-9H,13H2,1H3;3-5H,1H2,2H3/b;5-4-.
What are the key properties of 1-naphthalen-2-ylethanamine;(3Z)-penta-1,3-diene?
1-naphthalen-2-ylethanamine;(3Z)-penta-1,3-diene has a molecular weight of 239.36 g/mol, XLogP of 4.61, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-naphthalen-2-ylethanamine;(3Z)-penta-1,3-diene is sourced from PubChem (CID 153400153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).