6-iodo-5-methyl-1,2,3,4-tetrahydroacridin-9-amine

C14H15IN2 — CID 114257958

IUPAC6-iodo-5-methyl-1,2,3,4-tetrahydroacridin-9-amine
SMILESCc1c(I)ccc2c(N)c3c(nc12)CCCC3
InChIInChI=1S/C14H15IN2/c1-8-11(15)7-6-10-13(16)9-4-2-3-5-12(9)17-14(8)10/h6-7H,2-5H2,1H3,(H2,16,17)
InChIKeyVJTMJVQNRXJNIH-UHFFFAOYSA-N
MW338.19 g/mol
LogP3.61
Rot. Bonds

About 6-iodo-5-methyl-1,2,3,4-tetrahydroacridin-9-amine

6-iodo-5-methyl-1,2,3,4-tetrahydroacridin-9-amine (PubChem CID 114257958) has the molecular formula C14H15IN2 and a molecular weight of 338.19 g/mol. Its IUPAC name is 6-iodo-5-methyl-1,2,3,4-tetrahydroacridin-9-amine.

Molecular Properties

Compound Name6-iodo-5-methyl-1,2,3,4-tetrahydroacridin-9-amine
PubChem CID114257958
Molecular FormulaC14H15IN2
Molecular Weight338.19 g/mol
Exact Mass338.03
IUPAC Name6-iodo-5-methyl-1,2,3,4-tetrahydroacridin-9-amine
SMILESCc1c(I)ccc2c(N)c3c(nc12)CCCC3
InChIInChI=1S/C14H15IN2/c1-8-11(15)7-6-10-13(16)9-4-2-3-5-12(9)17-14(8)10/h6-7H,2-5H2,1H3,(H2,16,17)
InChIKeyVJTMJVQNRXJNIH-UHFFFAOYSA-N
XLogP3.61
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.19
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

(3-iodo-4-methyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-11-yl)hydrazine
CID 114257979
6-fluoro-5-methyl-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine
CID 62196283
5-methyl-1,2,3,4-tetrahydroacridin-9-amine
CID 611416
5-fluoro-7-methyl-1,2,3,4-tetrahydroacridin-9-amine
CID 55045940
6-methyl-1,2,3,4-tetrahydroacridin-9-amine;hydrochloride
CID 164616381
1-bromo-4-methyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-11-amine
CID 63479805
4-bromo-1-methyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-11-amine
CID 82759210
5,7-dibromo-1,2,3,4-tetrahydroacridin-9-amine;hydrochloride
CID 164610341
5,6-dimethyl-1,2,3,4-tetrahydroacridine-9-carboxylic acid
CID 60985060
4-ethoxy-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-11-amine
CID 63351532
7-bromo-5-ethyl-1,2,3,4-tetrahydroacridin-9-amine
CID 81289505
5-chloro-8-methyl-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine
CID 107628750

Frequently Asked Questions

What is the IUPAC name of 6-iodo-5-methyl-1,2,3,4-tetrahydroacridin-9-amine?
The IUPAC name of 6-iodo-5-methyl-1,2,3,4-tetrahydroacridin-9-amine (CID 114257958) is 6-iodo-5-methyl-1,2,3,4-tetrahydroacridin-9-amine.
What is the SMILES notation for 6-iodo-5-methyl-1,2,3,4-tetrahydroacridin-9-amine?
The canonical SMILES for 6-iodo-5-methyl-1,2,3,4-tetrahydroacridin-9-amine is Cc1c(I)ccc2c(N)c3c(nc12)CCCC3.
What is the InChIKey of 6-iodo-5-methyl-1,2,3,4-tetrahydroacridin-9-amine?
The InChIKey is VJTMJVQNRXJNIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15IN2/c1-8-11(15)7-6-10-13(16)9-4-2-3-5-12(9)17-14(8)10/h6-7H,2-5H2,1H3,(H2,16,17).
What are the key properties of 6-iodo-5-methyl-1,2,3,4-tetrahydroacridin-9-amine?
6-iodo-5-methyl-1,2,3,4-tetrahydroacridin-9-amine has a molecular weight of 338.19 g/mol, XLogP of 3.61, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-iodo-5-methyl-1,2,3,4-tetrahydroacridin-9-amine is sourced from PubChem (CID 114257958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).