(6S)-6-[(dimethylamino)methyl]-5,6,7,8-tetrahydronaphthalen-2-amine

C13H20N2 — CID 58289871

IUPAC(6S)-6-[(dimethylamino)methyl]-5,6,7,8-tetrahydronaphthalen-2-amine
SMILESCN(C)C[C@H]1CCc2cc(N)ccc2C1
InChIInChI=1S/C13H20N2/c1-15(2)9-10-3-4-12-8-13(14)6-5-11(12)7-10/h5-6,8,10H,3-4,7,9,14H2,1-2H3/t10-/m0/s1
InChIKeyLQRIWUQSMUFWPO-JTQLQIEISA-N
MW204.32 g/mol
LogP1.94
Rot. Bonds2

About (6S)-6-[(dimethylamino)methyl]-5,6,7,8-tetrahydronaphthalen-2-amine

(6S)-6-[(dimethylamino)methyl]-5,6,7,8-tetrahydronaphthalen-2-amine (PubChem CID 58289871) has the molecular formula C13H20N2 and a molecular weight of 204.32 g/mol. Its IUPAC name is (6S)-6-[(dimethylamino)methyl]-5,6,7,8-tetrahydronaphthalen-2-amine.

Molecular Properties

Compound Name(6S)-6-[(dimethylamino)methyl]-5,6,7,8-tetrahydronaphthalen-2-amine
PubChem CID58289871
Molecular FormulaC13H20N2
Molecular Weight204.32 g/mol
Exact Mass204.16
IUPAC Name(6S)-6-[(dimethylamino)methyl]-5,6,7,8-tetrahydronaphthalen-2-amine
SMILESCN(C)C[C@H]1CCc2cc(N)ccc2C1
InChIInChI=1S/C13H20N2/c1-15(2)9-10-3-4-12-8-13(14)6-5-11(12)7-10/h5-6,8,10H,3-4,7,9,14H2,1-2H3/t10-/m0/s1
InChIKeyLQRIWUQSMUFWPO-JTQLQIEISA-N
XLogP1.94
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.32
LogP ≤ 51.94
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 (6S)-6-[(dimethylamino)methyl]-5,6,7,8-tetrahydronaphthalen-2-amine?
The IUPAC name of (6S)-6-[(dimethylamino)methyl]-5,6,7,8-tetrahydronaphthalen-2-amine (CID 58289871) is (6S)-6-[(dimethylamino)methyl]-5,6,7,8-tetrahydronaphthalen-2-amine.
What is the SMILES notation for (6S)-6-[(dimethylamino)methyl]-5,6,7,8-tetrahydronaphthalen-2-amine?
The canonical SMILES for (6S)-6-[(dimethylamino)methyl]-5,6,7,8-tetrahydronaphthalen-2-amine is CN(C)C[C@H]1CCc2cc(N)ccc2C1.
What is the InChIKey of (6S)-6-[(dimethylamino)methyl]-5,6,7,8-tetrahydronaphthalen-2-amine?
The InChIKey is LQRIWUQSMUFWPO-JTQLQIEISA-N. The full InChI is InChI=1S/C13H20N2/c1-15(2)9-10-3-4-12-8-13(14)6-5-11(12)7-10/h5-6,8,10H,3-4,7,9,14H2,1-2H3/t10-/m0/s1.
What are the key properties of (6S)-6-[(dimethylamino)methyl]-5,6,7,8-tetrahydronaphthalen-2-amine?
(6S)-6-[(dimethylamino)methyl]-5,6,7,8-tetrahydronaphthalen-2-amine has a molecular weight of 204.32 g/mol, XLogP of 1.94, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-6-[(dimethylamino)methyl]-5,6,7,8-tetrahydronaphthalen-2-amine is sourced from PubChem (CID 58289871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).