4,5-dimethylidene-1,4a-dihydronaphthalene-1,8-diamine

C12H14N2 — CID 19960712

IUPAC4,5-dimethylidene-1,4a-dihydronaphthalene-1,8-diamine
SMILESC=C1C=CC(N)=C2C(N)C=CC(=C)C12
InChIInChI=1S/C12H14N2/c1-7-3-5-9(13)12-10(14)6-4-8(2)11(7)12/h3-6,9,11H,1-2,13-14H2
InChIKeyNHLBSFQIWQYNFO-UHFFFAOYSA-N
MW186.26 g/mol
LogP1.39
Rot. Bonds

About 4,5-dimethylidene-1,4a-dihydronaphthalene-1,8-diamine

4,5-dimethylidene-1,4a-dihydronaphthalene-1,8-diamine (PubChem CID 19960712) has the molecular formula C12H14N2 and a molecular weight of 186.26 g/mol. Its IUPAC name is 4,5-dimethylidene-1,4a-dihydronaphthalene-1,8-diamine.

Molecular Properties

Compound Name4,5-dimethylidene-1,4a-dihydronaphthalene-1,8-diamine
PubChem CID19960712
Molecular FormulaC12H14N2
Molecular Weight186.26 g/mol
Exact Mass186.12
IUPAC Name4,5-dimethylidene-1,4a-dihydronaphthalene-1,8-diamine
SMILESC=C1C=CC(N)=C2C(N)C=CC(=C)C12
InChIInChI=1S/C12H14N2/c1-7-3-5-9(13)12-10(14)6-4-8(2)11(7)12/h3-6,9,11H,1-2,13-14H2
InChIKeyNHLBSFQIWQYNFO-UHFFFAOYSA-N
XLogP1.39
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.26
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,5-dimethylidene-1,4a-dihydronaphthalene-1,8-diamine?
The IUPAC name of 4,5-dimethylidene-1,4a-dihydronaphthalene-1,8-diamine (CID 19960712) is 4,5-dimethylidene-1,4a-dihydronaphthalene-1,8-diamine.
What is the SMILES notation for 4,5-dimethylidene-1,4a-dihydronaphthalene-1,8-diamine?
The canonical SMILES for 4,5-dimethylidene-1,4a-dihydronaphthalene-1,8-diamine is C=C1C=CC(N)=C2C(N)C=CC(=C)C12.
What is the InChIKey of 4,5-dimethylidene-1,4a-dihydronaphthalene-1,8-diamine?
The InChIKey is NHLBSFQIWQYNFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2/c1-7-3-5-9(13)12-10(14)6-4-8(2)11(7)12/h3-6,9,11H,1-2,13-14H2.
What are the key properties of 4,5-dimethylidene-1,4a-dihydronaphthalene-1,8-diamine?
4,5-dimethylidene-1,4a-dihydronaphthalene-1,8-diamine has a molecular weight of 186.26 g/mol, XLogP of 1.39, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethylidene-1,4a-dihydronaphthalene-1,8-diamine is sourced from PubChem (CID 19960712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).