6-N-cycloheptyl-6-N-methylisoquinoline-5,6-diamine

C17H23N3 — CID 106947696

IUPAC6-N-cycloheptyl-6-N-methylisoquinoline-5,6-diamine
SMILESCN(c1ccc2cnccc2c1N)C1CCCCCC1
InChIInChI=1S/C17H23N3/c1-20(14-6-4-2-3-5-7-14)16-9-8-13-12-19-11-10-15(13)17(16)18/h8-12,14H,2-7,18H2,1H3
InChIKeyFRWDZWYIOGMMBY-UHFFFAOYSA-N
MW269.39 g/mol
LogP3.98
Rot. Bonds2

About 6-N-cycloheptyl-6-N-methylisoquinoline-5,6-diamine

6-N-cycloheptyl-6-N-methylisoquinoline-5,6-diamine (PubChem CID 106947696) has the molecular formula C17H23N3 and a molecular weight of 269.39 g/mol. Its IUPAC name is 6-N-cycloheptyl-6-N-methylisoquinoline-5,6-diamine.

Molecular Properties

Compound Name6-N-cycloheptyl-6-N-methylisoquinoline-5,6-diamine
PubChem CID106947696
Molecular FormulaC17H23N3
Molecular Weight269.39 g/mol
Exact Mass269.19
IUPAC Name6-N-cycloheptyl-6-N-methylisoquinoline-5,6-diamine
SMILESCN(c1ccc2cnccc2c1N)C1CCCCCC1
InChIInChI=1S/C17H23N3/c1-20(14-6-4-2-3-5-7-14)16-9-8-13-12-19-11-10-15(13)17(16)18/h8-12,14H,2-7,18H2,1H3
InChIKeyFRWDZWYIOGMMBY-UHFFFAOYSA-N
XLogP3.98
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-cycloheptyloxyisoquinolin-5-amine
CID 106948663
5-N-(4-ethylcyclohexyl)-5-N-methylisoquinoline-5,8-diamine
CID 61451033
6-N-[2-(dimethylamino)ethyl]-6-N-(2-methylpropyl)isoquinoline-5,6-diamine
CID 106947905
6-N-methyl-6-N-(2-methylsulfanylethyl)isoquinoline-5,6-diamine
CID 106948345
6-N-ethyl-6-N-(2-methylpropyl)isoquinoline-5,6-diamine
CID 106947622
8-N-methyl-8-N-(4-methylcyclohexyl)isoquinoline-5,8-diamine
CID 103137554
6-N-methyl-6-N-(4-methylsulfanylbutan-2-yl)isoquinoline-5,6-diamine
CID 106948452
6-N-ethyl-6-N-(3-fluorophenyl)isoquinoline-5,6-diamine
CID 106947935
4-(chloromethyl)-N-cyclopentyl-N-methylpyridin-3-amine
CID 105067287
6-N-[(4-fluorophenyl)methyl]-6-N-methylisoquinoline-5,6-diamine
CID 106947676
N-cyclohexyl-N-methyl-3-(methylaminomethyl)pyridin-4-amine
CID 81249487
N-cycloheptyl-N-methyl-3-(methylaminomethyl)pyridin-4-amine
CID 81247152

Frequently Asked Questions

What is the IUPAC name of 6-N-cycloheptyl-6-N-methylisoquinoline-5,6-diamine?
The IUPAC name of 6-N-cycloheptyl-6-N-methylisoquinoline-5,6-diamine (CID 106947696) is 6-N-cycloheptyl-6-N-methylisoquinoline-5,6-diamine.
What is the SMILES notation for 6-N-cycloheptyl-6-N-methylisoquinoline-5,6-diamine?
The canonical SMILES for 6-N-cycloheptyl-6-N-methylisoquinoline-5,6-diamine is CN(c1ccc2cnccc2c1N)C1CCCCCC1.
What is the InChIKey of 6-N-cycloheptyl-6-N-methylisoquinoline-5,6-diamine?
The InChIKey is FRWDZWYIOGMMBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3/c1-20(14-6-4-2-3-5-7-14)16-9-8-13-12-19-11-10-15(13)17(16)18/h8-12,14H,2-7,18H2,1H3.
What are the key properties of 6-N-cycloheptyl-6-N-methylisoquinoline-5,6-diamine?
6-N-cycloheptyl-6-N-methylisoquinoline-5,6-diamine has a molecular weight of 269.39 g/mol, XLogP of 3.98, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-cycloheptyl-6-N-methylisoquinoline-5,6-diamine is sourced from PubChem (CID 106947696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).