(1S)-1-(1,7,8,8a-tetrahydronaphthalen-1-yl)ethanamine

C12H17N — CID 88982727

IUPAC(1S)-1-(1,7,8,8a-tetrahydronaphthalen-1-yl)ethanamine
SMILESC[C@H](N)C1C=CC=C2C=CCCC21
InChIInChI=1S/C12H17N/c1-9(13)11-8-4-6-10-5-2-3-7-12(10)11/h2,4-6,8-9,11-12H,3,7,13H2,1H3/t9-,11?,12?/m0/s1
InChIKeyUIRMKMFARPVZPG-GCVQQVDUSA-N
MW175.28 g/mol
LogP2.41
Rot. Bonds1

About (1S)-1-(1,7,8,8a-tetrahydronaphthalen-1-yl)ethanamine

(1S)-1-(1,7,8,8a-tetrahydronaphthalen-1-yl)ethanamine (PubChem CID 88982727) has the molecular formula C12H17N and a molecular weight of 175.28 g/mol. Its IUPAC name is (1S)-1-(1,7,8,8a-tetrahydronaphthalen-1-yl)ethanamine.

Molecular Properties

Compound Name(1S)-1-(1,7,8,8a-tetrahydronaphthalen-1-yl)ethanamine
PubChem CID88982727
Molecular FormulaC12H17N
Molecular Weight175.28 g/mol
Exact Mass175.14
IUPAC Name(1S)-1-(1,7,8,8a-tetrahydronaphthalen-1-yl)ethanamine
SMILESC[C@H](N)C1C=CC=C2C=CCCC21
InChIInChI=1S/C12H17N/c1-9(13)11-8-4-6-10-5-2-3-7-12(10)11/h2,4-6,8-9,11-12H,3,7,13H2,1H3/t9-,11?,12?/m0/s1
InChIKeyUIRMKMFARPVZPG-GCVQQVDUSA-N
XLogP2.41
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.28
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (1S)-1-(1,7,8,8a-tetrahydronaphthalen-1-yl)ethanamine?
The IUPAC name of (1S)-1-(1,7,8,8a-tetrahydronaphthalen-1-yl)ethanamine (CID 88982727) is (1S)-1-(1,7,8,8a-tetrahydronaphthalen-1-yl)ethanamine.
What is the SMILES notation for (1S)-1-(1,7,8,8a-tetrahydronaphthalen-1-yl)ethanamine?
The canonical SMILES for (1S)-1-(1,7,8,8a-tetrahydronaphthalen-1-yl)ethanamine is C[C@H](N)C1C=CC=C2C=CCCC21.
What is the InChIKey of (1S)-1-(1,7,8,8a-tetrahydronaphthalen-1-yl)ethanamine?
The InChIKey is UIRMKMFARPVZPG-GCVQQVDUSA-N. The full InChI is InChI=1S/C12H17N/c1-9(13)11-8-4-6-10-5-2-3-7-12(10)11/h2,4-6,8-9,11-12H,3,7,13H2,1H3/t9-,11?,12?/m0/s1.
What are the key properties of (1S)-1-(1,7,8,8a-tetrahydronaphthalen-1-yl)ethanamine?
(1S)-1-(1,7,8,8a-tetrahydronaphthalen-1-yl)ethanamine has a molecular weight of 175.28 g/mol, XLogP of 2.41, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(1,7,8,8a-tetrahydronaphthalen-1-yl)ethanamine is sourced from PubChem (CID 88982727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).