1-N,1-N-dimethylnaphthalene-1,2-diamine;hydrochloride

C12H15ClN2 — CID 175607443

IUPAC1-N,1-N-dimethylnaphthalene-1,2-diamine;hydrochloride
SMILESCN(C)c1c(N)ccc2ccccc12.Cl
InChIInChI=1S/C12H14N2.ClH/c1-14(2)12-10-6-4-3-5-9(10)7-8-11(12)13;/h3-8H,13H2,1-2H3;1H
InChIKeyHMHIYWXARFEKFR-UHFFFAOYSA-N
MW222.72 g/mol
LogP2.91
Rot. Bonds1

About 1-N,1-N-dimethylnaphthalene-1,2-diamine;hydrochloride

1-N,1-N-dimethylnaphthalene-1,2-diamine;hydrochloride (PubChem CID 175607443) has the molecular formula C12H15ClN2 and a molecular weight of 222.72 g/mol. Its IUPAC name is 1-N,1-N-dimethylnaphthalene-1,2-diamine;hydrochloride.

Molecular Properties

Compound Name1-N,1-N-dimethylnaphthalene-1,2-diamine;hydrochloride
PubChem CID175607443
Molecular FormulaC12H15ClN2
Molecular Weight222.72 g/mol
Exact Mass222.09
IUPAC Name1-N,1-N-dimethylnaphthalene-1,2-diamine;hydrochloride
SMILESCN(C)c1c(N)ccc2ccccc12.Cl
InChIInChI=1S/C12H14N2.ClH/c1-14(2)12-10-6-4-3-5-9(10)7-8-11(12)13;/h3-8H,13H2,1-2H3;1H
InChIKeyHMHIYWXARFEKFR-UHFFFAOYSA-N
XLogP2.91
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.72
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(dimethylamino)naphthalene-2-diazonium
CID 88633495
1-(2-aminonaphthalen-1-yl)naphthalen-2-amine;hydrochloride
CID 139641730
2-aminonaphthalen-1-ol;ethane
CID 143085377
1-phosphanylnaphthalen-2-amine
CID 15207058
CID 174017027
CID 174017027
N,N,1-trimethylnaphthalen-2-amine;hydrochloride
CID 174570104
1-(2-methylnaphthalen-1-yl)naphthalen-2-amine
CID 18736750
1-[1-(2-aminonaphthalen-1-yl)ethyl]naphthalen-2-amine
CID 139712413
azane;naphthalen-1-amine;dihydrochloride
CID 142719941
N,N-dimethylnaphthalen-1-amine;hydroxylamine
CID 135773162
ethane;methane;phenanthrene
CID 144938954
ethane;methane;phenanthrene
CID 144939263

Frequently Asked Questions

What is the IUPAC name of 1-N,1-N-dimethylnaphthalene-1,2-diamine;hydrochloride?
The IUPAC name of 1-N,1-N-dimethylnaphthalene-1,2-diamine;hydrochloride (CID 175607443) is 1-N,1-N-dimethylnaphthalene-1,2-diamine;hydrochloride.
What is the SMILES notation for 1-N,1-N-dimethylnaphthalene-1,2-diamine;hydrochloride?
The canonical SMILES for 1-N,1-N-dimethylnaphthalene-1,2-diamine;hydrochloride is CN(C)c1c(N)ccc2ccccc12.Cl.
What is the InChIKey of 1-N,1-N-dimethylnaphthalene-1,2-diamine;hydrochloride?
The InChIKey is HMHIYWXARFEKFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2.ClH/c1-14(2)12-10-6-4-3-5-9(10)7-8-11(12)13;/h3-8H,13H2,1-2H3;1H.
What are the key properties of 1-N,1-N-dimethylnaphthalene-1,2-diamine;hydrochloride?
1-N,1-N-dimethylnaphthalene-1,2-diamine;hydrochloride has a molecular weight of 222.72 g/mol, XLogP of 2.91, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,1-N-dimethylnaphthalene-1,2-diamine;hydrochloride is sourced from PubChem (CID 175607443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).