(5S)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine

C11H15N — CID 40572494

IUPAC(5S)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
SMILESN[C@H]1CCCCc2ccccc21
InChIInChI=1S/C11H15N/c12-11-8-4-2-6-9-5-1-3-7-10(9)11/h1,3,5,7,11H,2,4,6,8,12H2/t11-/m0/s1
InChIKeyUFBOKWPYNNXYIS-NSHDSACASA-N
MW161.25 g/mol
LogP2.41
Rot. Bonds

About (5S)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine

(5S)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine (PubChem CID 40572494) has the molecular formula C11H15N and a molecular weight of 161.25 g/mol. Its IUPAC name is (5S)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine.

Molecular Properties

Compound Name(5S)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
PubChem CID40572494
Molecular FormulaC11H15N
Molecular Weight161.25 g/mol
Exact Mass161.12
IUPAC Name(5S)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
SMILESN[C@H]1CCCCc2ccccc21
InChIInChI=1S/C11H15N/c12-11-8-4-2-6-9-5-1-3-7-10(9)11/h1,3,5,7,11H,2,4,6,8,12H2/t11-/m0/s1
InChIKeyUFBOKWPYNNXYIS-NSHDSACASA-N
XLogP2.41
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.25
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (5S)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine with MolForge

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Related Compounds

1,2-dichlorobenzene;(1S)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 142874609
(1S)-2,3-dihydro-1H-inden-1-amine
CID 7000084
cyclododecanamine;2,3-dihydro-1H-inden-1-amine
CID 157151284
2,3-dihydro-1H-inden-1-amine;methanamine
CID 174570832
5,6,7,8,9,10-hexahydrobenzo[8]annulene-5,6-diol
CID 121014206
(5R)-5,6,7,8,9,10-hexahydrobenzo[8]annulen-5-ol
CID 130614926
5-amino-6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-ol
CID 13125681
ethane;5-methyl-5,6,7,8,9,10-hexahydrobenzo[8]annulene
CID 91190032
1-[2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]-1,2,3,4-tetrahydronaphthalene
CID 15742901
3-cyclohexyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 55223849
tricyclo[6.4.1.04,13]trideca-4,6,8(13)-trien-3-amine
CID 63823189
methyl-[(5S)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]azanide
CID 140609234

Frequently Asked Questions

What is the IUPAC name of (5S)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine?
The IUPAC name of (5S)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine (CID 40572494) is (5S)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine.
What is the SMILES notation for (5S)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine?
The canonical SMILES for (5S)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine is N[C@H]1CCCCc2ccccc21.
What is the InChIKey of (5S)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine?
The InChIKey is UFBOKWPYNNXYIS-NSHDSACASA-N. The full InChI is InChI=1S/C11H15N/c12-11-8-4-2-6-9-5-1-3-7-10(9)11/h1,3,5,7,11H,2,4,6,8,12H2/t11-/m0/s1.
What are the key properties of (5S)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine?
(5S)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine has a molecular weight of 161.25 g/mol, XLogP of 2.41, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine is sourced from PubChem (CID 40572494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).