2-N,2-N,6-N,6-N,1-pentamethylanthracene-2,6-diamine

C19H22N2 — CID 139804064

IUPAC2-N,2-N,6-N,6-N,1-pentamethylanthracene-2,6-diamine
SMILESCc1c(N(C)C)ccc2cc3cc(N(C)C)ccc3cc12
InChIInChI=1S/C19H22N2/c1-13-18-12-14-6-8-17(20(2)3)11-16(14)10-15(18)7-9-19(13)21(4)5/h6-12H,1-5H3
InChIKeyWJXRBYZKVZUJHO-UHFFFAOYSA-N
MW278.40 g/mol
LogP4.43
Rot. Bonds2

About 2-N,2-N,6-N,6-N,1-pentamethylanthracene-2,6-diamine

2-N,2-N,6-N,6-N,1-pentamethylanthracene-2,6-diamine (PubChem CID 139804064) has the molecular formula C19H22N2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 2-N,2-N,6-N,6-N,1-pentamethylanthracene-2,6-diamine.

Molecular Properties

Compound Name2-N,2-N,6-N,6-N,1-pentamethylanthracene-2,6-diamine
PubChem CID139804064
Molecular FormulaC19H22N2
Molecular Weight278.40 g/mol
Exact Mass278.18
IUPAC Name2-N,2-N,6-N,6-N,1-pentamethylanthracene-2,6-diamine
SMILESCc1c(N(C)C)ccc2cc3cc(N(C)C)ccc3cc12
InChIInChI=1S/C19H22N2/c1-13-18-12-14-6-8-17(20(2)3)11-16(14)10-15(18)7-9-19(13)21(4)5/h6-12H,1-5H3
InChIKeyWJXRBYZKVZUJHO-UHFFFAOYSA-N
XLogP4.43
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

N,N,1-trimethylnaphthalen-2-amine;hydrochloride
CID 174570104
N,N-dimethyl-6-(4-methylphenyl)naphthalen-2-amine
CID 118447014
N,N-dimethyl-1-phenylanthracen-2-amine
CID 175971860
N,1-dimethyl-N-naphthalen-2-ylnaphthalen-2-amine
CID 143268733
6-methoxy-N,N-dimethylnaphthalen-2-amine
CID 117043645
7-fluoro-N,N-dimethylnaphthalen-2-amine
CID 166120526
6-(dimethylamino)-4-methylnaphthalen-2-ol
CID 129179748
1-N,1-N,6-N,6-N-tetramethylpyrene-1,6-diamine
CID 11369728
N,N,8-trimethylnaphthalen-2-amine
CID 118617152
[6-(dimethylamino)naphthalen-2-yl]boronic acid
CID 11218173
1-[6-(dimethylamino)naphthalen-2-yl]ethanone
CID 15333970
1-[6-(dimethylamino)naphthalen-2-yl]propan-1-one;propane
CID 66749463

Frequently Asked Questions

What is the IUPAC name of 2-N,2-N,6-N,6-N,1-pentamethylanthracene-2,6-diamine?
The IUPAC name of 2-N,2-N,6-N,6-N,1-pentamethylanthracene-2,6-diamine (CID 139804064) is 2-N,2-N,6-N,6-N,1-pentamethylanthracene-2,6-diamine.
What is the SMILES notation for 2-N,2-N,6-N,6-N,1-pentamethylanthracene-2,6-diamine?
The canonical SMILES for 2-N,2-N,6-N,6-N,1-pentamethylanthracene-2,6-diamine is Cc1c(N(C)C)ccc2cc3cc(N(C)C)ccc3cc12.
What is the InChIKey of 2-N,2-N,6-N,6-N,1-pentamethylanthracene-2,6-diamine?
The InChIKey is WJXRBYZKVZUJHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2/c1-13-18-12-14-6-8-17(20(2)3)11-16(14)10-15(18)7-9-19(13)21(4)5/h6-12H,1-5H3.
What are the key properties of 2-N,2-N,6-N,6-N,1-pentamethylanthracene-2,6-diamine?
2-N,2-N,6-N,6-N,1-pentamethylanthracene-2,6-diamine has a molecular weight of 278.40 g/mol, XLogP of 4.43, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N,6-N,6-N,1-pentamethylanthracene-2,6-diamine is sourced from PubChem (CID 139804064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).