1,4-dinaphthalen-1-ylbuta-1,3-diene-2,3-diamine

C24H20N2 — CID 87961483

IUPAC1,4-dinaphthalen-1-ylbuta-1,3-diene-2,3-diamine
SMILESNC(=Cc1cccc2ccccc12)C(N)=Cc1cccc2ccccc12
InChIInChI=1S/C24H20N2/c25-23(15-19-11-5-9-17-7-1-3-13-21(17)19)24(26)16-20-12-6-10-18-8-2-4-14-22(18)20/h1-16H,25-26H2
InChIKeyKMRLQKKLKWVVFO-UHFFFAOYSA-N
MW336.44 g/mol
LogP5.29
Rot. Bonds3

About 1,4-dinaphthalen-1-ylbuta-1,3-diene-2,3-diamine

1,4-dinaphthalen-1-ylbuta-1,3-diene-2,3-diamine (PubChem CID 87961483) has the molecular formula C24H20N2 and a molecular weight of 336.44 g/mol. Its IUPAC name is 1,4-dinaphthalen-1-ylbuta-1,3-diene-2,3-diamine.

Molecular Properties

Compound Name1,4-dinaphthalen-1-ylbuta-1,3-diene-2,3-diamine
PubChem CID87961483
Molecular FormulaC24H20N2
Molecular Weight336.44 g/mol
Exact Mass336.16
IUPAC Name1,4-dinaphthalen-1-ylbuta-1,3-diene-2,3-diamine
SMILESNC(=Cc1cccc2ccccc12)C(N)=Cc1cccc2ccccc12
InChIInChI=1S/C24H20N2/c25-23(15-19-11-5-9-17-7-1-3-13-21(17)19)24(26)16-20-12-6-10-18-8-2-4-14-22(18)20/h1-16H,25-26H2
InChIKeyKMRLQKKLKWVVFO-UHFFFAOYSA-N
XLogP5.29
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.44
LogP ≤ 55.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(2,2-dibromoethenyl)naphthalene
CID 12642645
1-(2,2-difluoroethenyl)naphthalene;ethane
CID 91067867
2-naphthalen-1-ylethenamine
CID 69243468
(Z)-2-fluoro-3-naphthalen-1-ylprop-2-enal
CID 11019877
(Z)-2-bromo-3-naphthalen-1-ylprop-2-enal
CID 101086332
1-(3-bromo-2-methylprop-1-enyl)naphthalene
CID 79323656
(Z)-2-(4-hydroxyphenyl)-3-naphthalen-1-ylprop-2-enamide
CID 67704950
1-[(Z)-2-bromobut-1-en-3-ynyl]naphthalene
CID 101059606
1-[2-(bromomethyl)-3-methylbut-1-enyl]naphthalene
CID 79323139
(E)-3-naphthalen-1-yl-2-phenylprop-2-enenitrile
CID 7372758
ethyl (E)-2-methyl-3-naphthalen-1-ylprop-2-enoate
CID 88621267
naphthalene-1-carbaldehyde;zinc
CID 88790891

Frequently Asked Questions

What is the IUPAC name of 1,4-dinaphthalen-1-ylbuta-1,3-diene-2,3-diamine?
The IUPAC name of 1,4-dinaphthalen-1-ylbuta-1,3-diene-2,3-diamine (CID 87961483) is 1,4-dinaphthalen-1-ylbuta-1,3-diene-2,3-diamine.
What is the SMILES notation for 1,4-dinaphthalen-1-ylbuta-1,3-diene-2,3-diamine?
The canonical SMILES for 1,4-dinaphthalen-1-ylbuta-1,3-diene-2,3-diamine is NC(=Cc1cccc2ccccc12)C(N)=Cc1cccc2ccccc12.
What is the InChIKey of 1,4-dinaphthalen-1-ylbuta-1,3-diene-2,3-diamine?
The InChIKey is KMRLQKKLKWVVFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N2/c25-23(15-19-11-5-9-17-7-1-3-13-21(17)19)24(26)16-20-12-6-10-18-8-2-4-14-22(18)20/h1-16H,25-26H2.
What are the key properties of 1,4-dinaphthalen-1-ylbuta-1,3-diene-2,3-diamine?
1,4-dinaphthalen-1-ylbuta-1,3-diene-2,3-diamine has a molecular weight of 336.44 g/mol, XLogP of 5.29, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dinaphthalen-1-ylbuta-1,3-diene-2,3-diamine is sourced from PubChem (CID 87961483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).