3-[(Z)-(6-methylidenecyclohexa-2,4-dien-1-ylidene)methyl]naphthalen-2-amine

C18H15N — CID 89198333

IUPAC3-[(Z)-(6-methylidenecyclohexa-2,4-dien-1-ylidene)methyl]naphthalen-2-amine
SMILESC=c1cccc/c1=C/c1cc2ccccc2cc1N
InChIInChI=1S/C18H15N/c1-13-6-2-3-7-14(13)10-17-11-15-8-4-5-9-16(15)12-18(17)19/h2-12H,1,19H2/b14-10-
InChIKeyZLFJQUNTEFBAQA-UVTDQMKNSA-N
MW245.32 g/mol
LogP2.66
Rot. Bonds1

About 3-[(Z)-(6-methylidenecyclohexa-2,4-dien-1-ylidene)methyl]naphthalen-2-amine

3-[(Z)-(6-methylidenecyclohexa-2,4-dien-1-ylidene)methyl]naphthalen-2-amine (PubChem CID 89198333) has the molecular formula C18H15N and a molecular weight of 245.32 g/mol. Its IUPAC name is 3-[(Z)-(6-methylidenecyclohexa-2,4-dien-1-ylidene)methyl]naphthalen-2-amine.

Molecular Properties

Compound Name3-[(Z)-(6-methylidenecyclohexa-2,4-dien-1-ylidene)methyl]naphthalen-2-amine
PubChem CID89198333
Molecular FormulaC18H15N
Molecular Weight245.32 g/mol
Exact Mass245.12
IUPAC Name3-[(Z)-(6-methylidenecyclohexa-2,4-dien-1-ylidene)methyl]naphthalen-2-amine
SMILESC=c1cccc/c1=C/c1cc2ccccc2cc1N
InChIInChI=1S/C18H15N/c1-13-6-2-3-7-14(13)10-17-11-15-8-4-5-9-16(15)12-18(17)19/h2-12H,1,19H2/b14-10-
InChIKeyZLFJQUNTEFBAQA-UVTDQMKNSA-N
XLogP2.66
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 52.66
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 3-[(Z)-(6-methylidenecyclohexa-2,4-dien-1-ylidene)methyl]naphthalen-2-amine?
The IUPAC name of 3-[(Z)-(6-methylidenecyclohexa-2,4-dien-1-ylidene)methyl]naphthalen-2-amine (CID 89198333) is 3-[(Z)-(6-methylidenecyclohexa-2,4-dien-1-ylidene)methyl]naphthalen-2-amine.
What is the SMILES notation for 3-[(Z)-(6-methylidenecyclohexa-2,4-dien-1-ylidene)methyl]naphthalen-2-amine?
The canonical SMILES for 3-[(Z)-(6-methylidenecyclohexa-2,4-dien-1-ylidene)methyl]naphthalen-2-amine is C=c1cccc/c1=C/c1cc2ccccc2cc1N.
What is the InChIKey of 3-[(Z)-(6-methylidenecyclohexa-2,4-dien-1-ylidene)methyl]naphthalen-2-amine?
The InChIKey is ZLFJQUNTEFBAQA-UVTDQMKNSA-N. The full InChI is InChI=1S/C18H15N/c1-13-6-2-3-7-14(13)10-17-11-15-8-4-5-9-16(15)12-18(17)19/h2-12H,1,19H2/b14-10-.
What are the key properties of 3-[(Z)-(6-methylidenecyclohexa-2,4-dien-1-ylidene)methyl]naphthalen-2-amine?
3-[(Z)-(6-methylidenecyclohexa-2,4-dien-1-ylidene)methyl]naphthalen-2-amine has a molecular weight of 245.32 g/mol, XLogP of 2.66, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(Z)-(6-methylidenecyclohexa-2,4-dien-1-ylidene)methyl]naphthalen-2-amine is sourced from PubChem (CID 89198333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).