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

C12H16N- — CID 140609234

IUPACmethyl-[(5S)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]azanide
SMILESC[N-][C@H]1CCCCc2ccccc21
InChIInChI=1S/C12H16N/c1-13-12-9-5-3-7-10-6-2-4-8-11(10)12/h2,4,6,8,12H,3,5,7,9H2,1H3/q-1/t12-/m0/s1
InChIKeyIKTJWOVOYCFZRW-LBPRGKRZSA-N
MW174.27 g/mol
LogP3.46
Rot. Bonds1

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

methyl-[(5S)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]azanide (PubChem CID 140609234) has the molecular formula C12H16N- and a molecular weight of 174.27 g/mol. Its IUPAC name is methyl-[(5S)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]azanide.

Molecular Properties

Compound Namemethyl-[(5S)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]azanide
PubChem CID140609234
Molecular FormulaC12H16N-
Molecular Weight174.27 g/mol
Exact Mass174.13
IUPAC Namemethyl-[(5S)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]azanide
SMILESC[N-][C@H]1CCCCc2ccccc21
InChIInChI=1S/C12H16N/c1-13-12-9-5-3-7-10-6-2-4-8-11(10)12/h2,4,6,8,12H,3,5,7,9H2,1H3/q-1/t12-/m0/s1
InChIKeyIKTJWOVOYCFZRW-LBPRGKRZSA-N
XLogP3.46
TPSA14.10 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.27
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethane;5-methyl-5,6,7,8,9,10-hexahydrobenzo[8]annulene
CID 91190032
(5S)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 40572494
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
N-methyl-5,6,7,8,9,10-hexahydrobenzo[8]annulen-5-amine
CID 123748338
(1S)-1-cyclopentyl-2,3-dihydro-1H-indene
CID 134946753
1,2,3,3a,4,5,6,6a-octahydropentalene;1,2,3,4-tetrahydronaphthalene
CID 166550494
N-cyclopentyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 43095434
6,7,8,9-tetrahydro-5H-benzo[7]annulene-5-sulfonyl chloride
CID 62084728
ethane;[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]azanium
CID 144973609
ethyl (5R)-6,7,8,9-tetrahydro-5H-benzo[7]annulene-5-carboxylate
CID 124678849
N-(3-methylbutan-2-yl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 43131355

Frequently Asked Questions

What is the IUPAC name of methyl-[(5S)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]azanide?
The IUPAC name of methyl-[(5S)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]azanide (CID 140609234) is methyl-[(5S)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]azanide.
What is the SMILES notation for methyl-[(5S)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]azanide?
The canonical SMILES for methyl-[(5S)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]azanide is C[N-][C@H]1CCCCc2ccccc21.
What is the InChIKey of methyl-[(5S)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]azanide?
The InChIKey is IKTJWOVOYCFZRW-LBPRGKRZSA-N. The full InChI is InChI=1S/C12H16N/c1-13-12-9-5-3-7-10-6-2-4-8-11(10)12/h2,4,6,8,12H,3,5,7,9H2,1H3/q-1/t12-/m0/s1.
What are the key properties of methyl-[(5S)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]azanide?
methyl-[(5S)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]azanide has a molecular weight of 174.27 g/mol, XLogP of 3.46, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-[(5S)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]azanide is sourced from PubChem (CID 140609234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).