9-methyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-amine

C12H17N — CID 132992798

IUPAC9-methyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-amine
SMILESCC1CCC(N)Cc2ccccc21
InChIInChI=1S/C12H17N/c1-9-6-7-11(13)8-10-4-2-3-5-12(9)10/h2-5,9,11H,6-8,13H2,1H3
InChIKeyRSPMSUKGMDPSPN-UHFFFAOYSA-N
MW175.28 g/mol
LogP2.45
Rot. Bonds

About 9-methyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-amine

9-methyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-amine (PubChem CID 132992798) has the molecular formula C12H17N and a molecular weight of 175.28 g/mol. Its IUPAC name is 9-methyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-amine.

Molecular Properties

Compound Name9-methyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-amine
PubChem CID132992798
Molecular FormulaC12H17N
Molecular Weight175.28 g/mol
Exact Mass175.14
IUPAC Name9-methyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-amine
SMILESCC1CCC(N)Cc2ccccc21
InChIInChI=1S/C12H17N/c1-9-6-7-11(13)8-10-4-2-3-5-12(9)10/h2-5,9,11H,6-8,13H2,1H3
InChIKeyRSPMSUKGMDPSPN-UHFFFAOYSA-N
XLogP2.45
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.28
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 122155821
(1S)-2-methyl-2,3-dihydro-1H-inden-1-amine
CID 59444842
(1R)-2-methyl-2,3-dihydro-1H-inden-1-amine
CID 55285370
(1S,2R)-2-methyl-2,3-dihydro-1H-inden-1-amine
CID 51899506
2,3-dihydro-1H-inden-2-amine;ethane
CID 142154792
bicyclo[4.2.0]octa-1,3,5-trien-7-amine
CID 2753029
1,2,3,4-tetrahydronaphthalen-2-amine;trihydrochloride
CID 67686398
benzene;1,2,3,4-tetrahydronaphthalen-2-amine
CID 66647094
(1S)-1-methyl-2,3-dihydro-1H-inden-2-ol
CID 89059414
(6S)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-amine
CID 57377025
ethane;5-methyl-5,6,7,8,9,10-hexahydrobenzo[8]annulene
CID 91190032
2,3-dihydro-1H-indene-1,2-diamine
CID 10986398

Frequently Asked Questions

What is the IUPAC name of 9-methyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-amine?
The IUPAC name of 9-methyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-amine (CID 132992798) is 9-methyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-amine.
What is the SMILES notation for 9-methyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-amine?
The canonical SMILES for 9-methyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-amine is CC1CCC(N)Cc2ccccc21.
What is the InChIKey of 9-methyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-amine?
The InChIKey is RSPMSUKGMDPSPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N/c1-9-6-7-11(13)8-10-4-2-3-5-12(9)10/h2-5,9,11H,6-8,13H2,1H3.
What are the key properties of 9-methyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-amine?
9-methyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-amine has a molecular weight of 175.28 g/mol, XLogP of 2.45, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-amine is sourced from PubChem (CID 132992798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).