(1S)-7-ethyl-1,2,3,4-tetrahydronaphthalen-1-amine

C12H17N — CID 21104537

IUPAC(1S)-7-ethyl-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCCc1ccc2c(c1)[C@@H](N)CCC2
InChIInChI=1S/C12H17N/c1-2-9-6-7-10-4-3-5-12(13)11(10)8-9/h6-8,12H,2-5,13H2,1H3/t12-/m0/s1
InChIKeyVPUOABGJKKYLOW-LBPRGKRZSA-N
MW175.27 g/mol
LogP2.59
Rot. Bonds1

About (1S)-7-ethyl-1,2,3,4-tetrahydronaphthalen-1-amine

(1S)-7-ethyl-1,2,3,4-tetrahydronaphthalen-1-amine (PubChem CID 21104537) has the molecular formula C12H17N and a molecular weight of 175.27 g/mol. Its IUPAC name is (1S)-7-ethyl-1,2,3,4-tetrahydronaphthalen-1-amine.

Molecular Properties

Compound Name(1S)-7-ethyl-1,2,3,4-tetrahydronaphthalen-1-amine
PubChem CID21104537
Molecular FormulaC12H17N
Molecular Weight175.27 g/mol
Exact Mass175.14
IUPAC Name(1S)-7-ethyl-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCCc1ccc2c(c1)[C@@H](N)CCC2
InChIInChI=1S/C12H17N/c1-2-9-6-7-10-4-3-5-12(13)11(10)8-9/h6-8,12H,2-5,13H2,1H3/t12-/m0/s1
InChIKeyVPUOABGJKKYLOW-LBPRGKRZSA-N
XLogP2.59
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.27
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (1S)-7-ethyl-1,2,3,4-tetrahydronaphthalen-1-amine?
The IUPAC name of (1S)-7-ethyl-1,2,3,4-tetrahydronaphthalen-1-amine (CID 21104537) is (1S)-7-ethyl-1,2,3,4-tetrahydronaphthalen-1-amine.
What is the SMILES notation for (1S)-7-ethyl-1,2,3,4-tetrahydronaphthalen-1-amine?
The canonical SMILES for (1S)-7-ethyl-1,2,3,4-tetrahydronaphthalen-1-amine is CCc1ccc2c(c1)[C@@H](N)CCC2.
What is the InChIKey of (1S)-7-ethyl-1,2,3,4-tetrahydronaphthalen-1-amine?
The InChIKey is VPUOABGJKKYLOW-LBPRGKRZSA-N. The full InChI is InChI=1S/C12H17N/c1-2-9-6-7-10-4-3-5-12(13)11(10)8-9/h6-8,12H,2-5,13H2,1H3/t12-/m0/s1.
What are the key properties of (1S)-7-ethyl-1,2,3,4-tetrahydronaphthalen-1-amine?
(1S)-7-ethyl-1,2,3,4-tetrahydronaphthalen-1-amine has a molecular weight of 175.27 g/mol, XLogP of 2.59, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-7-ethyl-1,2,3,4-tetrahydronaphthalen-1-amine is sourced from PubChem (CID 21104537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).