(2S)-2-N,2-N-dimethyl-1,2,3,4-tetrahydronaphthalene-2,7-diamine

C12H18N2 — CID 58289882

IUPAC(2S)-2-N,2-N-dimethyl-1,2,3,4-tetrahydronaphthalene-2,7-diamine
SMILESCN(C)[C@H]1CCc2ccc(N)cc2C1
InChIInChI=1S/C12H18N2/c1-14(2)12-6-4-9-3-5-11(13)7-10(9)8-12/h3,5,7,12H,4,6,8,13H2,1-2H3/t12-/m0/s1
InChIKeyXASMIQVWLDCOQV-LBPRGKRZSA-N
MW190.29 g/mol
LogP1.69
Rot. Bonds1

About (2S)-2-N,2-N-dimethyl-1,2,3,4-tetrahydronaphthalene-2,7-diamine

(2S)-2-N,2-N-dimethyl-1,2,3,4-tetrahydronaphthalene-2,7-diamine (PubChem CID 58289882) has the molecular formula C12H18N2 and a molecular weight of 190.29 g/mol. Its IUPAC name is (2S)-2-N,2-N-dimethyl-1,2,3,4-tetrahydronaphthalene-2,7-diamine.

Molecular Properties

Compound Name(2S)-2-N,2-N-dimethyl-1,2,3,4-tetrahydronaphthalene-2,7-diamine
PubChem CID58289882
Molecular FormulaC12H18N2
Molecular Weight190.29 g/mol
Exact Mass190.15
IUPAC Name(2S)-2-N,2-N-dimethyl-1,2,3,4-tetrahydronaphthalene-2,7-diamine
SMILESCN(C)[C@H]1CCc2ccc(N)cc2C1
InChIInChI=1S/C12H18N2/c1-14(2)12-6-4-9-3-5-11(13)7-10(9)8-12/h3,5,7,12H,4,6,8,13H2,1-2H3/t12-/m0/s1
InChIKeyXASMIQVWLDCOQV-LBPRGKRZSA-N
XLogP1.69
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.29
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-N,2-N-dimethyl-1,2,3,4-tetrahydronaphthalene-2,7-diamine?
The IUPAC name of (2S)-2-N,2-N-dimethyl-1,2,3,4-tetrahydronaphthalene-2,7-diamine (CID 58289882) is (2S)-2-N,2-N-dimethyl-1,2,3,4-tetrahydronaphthalene-2,7-diamine.
What is the SMILES notation for (2S)-2-N,2-N-dimethyl-1,2,3,4-tetrahydronaphthalene-2,7-diamine?
The canonical SMILES for (2S)-2-N,2-N-dimethyl-1,2,3,4-tetrahydronaphthalene-2,7-diamine is CN(C)[C@H]1CCc2ccc(N)cc2C1.
What is the InChIKey of (2S)-2-N,2-N-dimethyl-1,2,3,4-tetrahydronaphthalene-2,7-diamine?
The InChIKey is XASMIQVWLDCOQV-LBPRGKRZSA-N. The full InChI is InChI=1S/C12H18N2/c1-14(2)12-6-4-9-3-5-11(13)7-10(9)8-12/h3,5,7,12H,4,6,8,13H2,1-2H3/t12-/m0/s1.
What are the key properties of (2S)-2-N,2-N-dimethyl-1,2,3,4-tetrahydronaphthalene-2,7-diamine?
(2S)-2-N,2-N-dimethyl-1,2,3,4-tetrahydronaphthalene-2,7-diamine has a molecular weight of 190.29 g/mol, XLogP of 1.69, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-N,2-N-dimethyl-1,2,3,4-tetrahydronaphthalene-2,7-diamine is sourced from PubChem (CID 58289882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).