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

C11H15N — CID 57377025

IUPAC(6S)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-amine
SMILESN[C@H]1CCCc2ccccc2C1
InChIInChI=1S/C11H15N/c12-11-7-3-6-9-4-1-2-5-10(9)8-11/h1-2,4-5,11H,3,6-8,12H2/t11-/m0/s1
InChIKeyMDVRGZASGHPBAG-NSHDSACASA-N
MW161.25 g/mol
LogP1.89
Rot. Bonds

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

(6S)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-amine (PubChem CID 57377025) has the molecular formula C11H15N and a molecular weight of 161.25 g/mol. Its IUPAC name is (6S)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-amine.

Molecular Properties

Compound Name(6S)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-amine
PubChem CID57377025
Molecular FormulaC11H15N
Molecular Weight161.25 g/mol
Exact Mass161.12
IUPAC Name(6S)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-amine
SMILESN[C@H]1CCCc2ccccc2C1
InChIInChI=1S/C11H15N/c12-11-7-3-6-9-4-1-2-5-10(9)8-11/h1-2,4-5,11H,3,6-8,12H2/t11-/m0/s1
InChIKeyMDVRGZASGHPBAG-NSHDSACASA-N
XLogP1.89
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 ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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

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Related Compounds

benzene;1,2,3,4-tetrahydronaphthalen-2-amine
CID 66647094
1,2,3,4-tetrahydronaphthalen-2-amine;trihydrochloride
CID 67686398
2,3-dihydro-1H-inden-2-amine;ethane
CID 142154792
(6S)-1-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-amine
CID 142640343
8-methyl-6,7,8,9,10,11-hexahydro-5H-benzo[9]annulene
CID 123348757
1,2,3,4-tetrahydronaphthalene
CID 174531863
2-[(6S)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-yl]acetic acid
CID 129362346
2,3-dihydro-1H-indene;2-methyl-2,3-dihydro-1H-indene
CID 159163740
[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]methanamine
CID 86313684
(6S,7S)-7-amino-6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-ol
CID 53322291
1,2,3,3a,4,5,6,6a-octahydropentalene;1,2,3,4-tetrahydronaphthalene
CID 166550494
2,3-dihydro-1H-indene;tetrahydrochloride
CID 175293615

Frequently Asked Questions

What is the IUPAC name of (6S)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-amine?
The IUPAC name of (6S)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-amine (CID 57377025) is (6S)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-amine.
What is the SMILES notation for (6S)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-amine?
The canonical SMILES for (6S)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-amine is N[C@H]1CCCc2ccccc2C1.
What is the InChIKey of (6S)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-amine?
The InChIKey is MDVRGZASGHPBAG-NSHDSACASA-N. The full InChI is InChI=1S/C11H15N/c12-11-7-3-6-9-4-1-2-5-10(9)8-11/h1-2,4-5,11H,3,6-8,12H2/t11-/m0/s1.
What are the key properties of (6S)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-amine?
(6S)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-amine has a molecular weight of 161.25 g/mol, XLogP of 1.89, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-amine is sourced from PubChem (CID 57377025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).