(1R)-7-methyl-1,2,3,4-tetrahydronaphthalene-1,6-diamine

C11H16N2 — CID 55273686

IUPAC(1R)-7-methyl-1,2,3,4-tetrahydronaphthalene-1,6-diamine
SMILESCc1cc2c(cc1N)CCC[C@H]2N
InChIInChI=1S/C11H16N2/c1-7-5-9-8(6-11(7)13)3-2-4-10(9)12/h5-6,10H,2-4,12-13H2,1H3/t10-/m1/s1
InChIKeyGSTLCKUZPUXHBC-SNVBAGLBSA-N
MW176.26 g/mol
LogP1.91
Rot. Bonds

About (1R)-7-methyl-1,2,3,4-tetrahydronaphthalene-1,6-diamine

(1R)-7-methyl-1,2,3,4-tetrahydronaphthalene-1,6-diamine (PubChem CID 55273686) has the molecular formula C11H16N2 and a molecular weight of 176.26 g/mol. Its IUPAC name is (1R)-7-methyl-1,2,3,4-tetrahydronaphthalene-1,6-diamine.

Molecular Properties

Compound Name(1R)-7-methyl-1,2,3,4-tetrahydronaphthalene-1,6-diamine
PubChem CID55273686
Molecular FormulaC11H16N2
Molecular Weight176.26 g/mol
Exact Mass176.13
IUPAC Name(1R)-7-methyl-1,2,3,4-tetrahydronaphthalene-1,6-diamine
SMILESCc1cc2c(cc1N)CCC[C@H]2N
InChIInChI=1S/C11H16N2/c1-7-5-9-8(6-11(7)13)3-2-4-10(9)12/h5-6,10H,2-4,12-13H2,1H3/t10-/m1/s1
InChIKeyGSTLCKUZPUXHBC-SNVBAGLBSA-N
XLogP1.91
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.26
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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3-Methyl-2-naphthalenamine
CID 21168
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CID 18695160
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CID 25948

Frequently Asked Questions

What is the IUPAC name of (1R)-7-methyl-1,2,3,4-tetrahydronaphthalene-1,6-diamine?
The IUPAC name of (1R)-7-methyl-1,2,3,4-tetrahydronaphthalene-1,6-diamine (CID 55273686) is (1R)-7-methyl-1,2,3,4-tetrahydronaphthalene-1,6-diamine.
What is the SMILES notation for (1R)-7-methyl-1,2,3,4-tetrahydronaphthalene-1,6-diamine?
The canonical SMILES for (1R)-7-methyl-1,2,3,4-tetrahydronaphthalene-1,6-diamine is Cc1cc2c(cc1N)CCC[C@H]2N.
What is the InChIKey of (1R)-7-methyl-1,2,3,4-tetrahydronaphthalene-1,6-diamine?
The InChIKey is GSTLCKUZPUXHBC-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H16N2/c1-7-5-9-8(6-11(7)13)3-2-4-10(9)12/h5-6,10H,2-4,12-13H2,1H3/t10-/m1/s1.
What are the key properties of (1R)-7-methyl-1,2,3,4-tetrahydronaphthalene-1,6-diamine?
(1R)-7-methyl-1,2,3,4-tetrahydronaphthalene-1,6-diamine has a molecular weight of 176.26 g/mol, XLogP of 1.91, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-7-methyl-1,2,3,4-tetrahydronaphthalene-1,6-diamine is sourced from PubChem (CID 55273686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).