(1Z)-1-naphthalen-1-ylbuta-1,3-dien-1-amine

C14H13N — CID 10330283

IUPAC(1Z)-1-naphthalen-1-ylbuta-1,3-dien-1-amine
SMILESC=C/C=C(\N)c1cccc2ccccc12
InChIInChI=1S/C14H13N/c1-2-6-14(15)13-10-5-8-11-7-3-4-9-12(11)13/h2-10H,1,15H2/b14-6-
InChIKeyZFXPGZMGGUDTAU-NSIKDUERSA-N
MW195.26 g/mol
LogP3.33
Rot. Bonds2

About (1Z)-1-naphthalen-1-ylbuta-1,3-dien-1-amine

(1Z)-1-naphthalen-1-ylbuta-1,3-dien-1-amine (PubChem CID 10330283) has the molecular formula C14H13N and a molecular weight of 195.26 g/mol. Its IUPAC name is (1Z)-1-naphthalen-1-ylbuta-1,3-dien-1-amine.

Molecular Properties

Compound Name(1Z)-1-naphthalen-1-ylbuta-1,3-dien-1-amine
PubChem CID10330283
Molecular FormulaC14H13N
Molecular Weight195.26 g/mol
Exact Mass195.10
IUPAC Name(1Z)-1-naphthalen-1-ylbuta-1,3-dien-1-amine
SMILESC=C/C=C(\N)c1cccc2ccccc12
InChIInChI=1S/C14H13N/c1-2-6-14(15)13-10-5-8-11-7-3-4-9-12(11)13/h2-10H,1,15H2/b14-6-
InChIKeyZFXPGZMGGUDTAU-NSIKDUERSA-N
XLogP3.33
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.26
LogP ≤ 53.33
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 (1Z)-1-naphthalen-1-ylbuta-1,3-dien-1-amine?
The IUPAC name of (1Z)-1-naphthalen-1-ylbuta-1,3-dien-1-amine (CID 10330283) is (1Z)-1-naphthalen-1-ylbuta-1,3-dien-1-amine.
What is the SMILES notation for (1Z)-1-naphthalen-1-ylbuta-1,3-dien-1-amine?
The canonical SMILES for (1Z)-1-naphthalen-1-ylbuta-1,3-dien-1-amine is C=C/C=C(\N)c1cccc2ccccc12.
What is the InChIKey of (1Z)-1-naphthalen-1-ylbuta-1,3-dien-1-amine?
The InChIKey is ZFXPGZMGGUDTAU-NSIKDUERSA-N. The full InChI is InChI=1S/C14H13N/c1-2-6-14(15)13-10-5-8-11-7-3-4-9-12(11)13/h2-10H,1,15H2/b14-6-.
What are the key properties of (1Z)-1-naphthalen-1-ylbuta-1,3-dien-1-amine?
(1Z)-1-naphthalen-1-ylbuta-1,3-dien-1-amine has a molecular weight of 195.26 g/mol, XLogP of 3.33, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z)-1-naphthalen-1-ylbuta-1,3-dien-1-amine is sourced from PubChem (CID 10330283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).