4-cyclohexyl-2-methyl-3,4-dihydro-1H-isoquinolin-8-amine

C16H24N2 — CID 45357568

IUPAC4-cyclohexyl-2-methyl-3,4-dihydro-1H-isoquinolin-8-amine
SMILESCN1Cc2c(N)cccc2C(C2CCCCC2)C1
InChIInChI=1S/C16H24N2/c1-18-10-14(12-6-3-2-4-7-12)13-8-5-9-16(17)15(13)11-18/h5,8-9,12,14H,2-4,6-7,10-11,17H2,1H3
InChIKeyAJSBXTJTHJZSOB-UHFFFAOYSA-N
MW244.38 g/mol
LogP3.38
Rot. Bonds1

About 4-cyclohexyl-2-methyl-3,4-dihydro-1H-isoquinolin-8-amine

4-cyclohexyl-2-methyl-3,4-dihydro-1H-isoquinolin-8-amine (PubChem CID 45357568) has the molecular formula C16H24N2 and a molecular weight of 244.38 g/mol. Its IUPAC name is 4-cyclohexyl-2-methyl-3,4-dihydro-1H-isoquinolin-8-amine.

Molecular Properties

Compound Name4-cyclohexyl-2-methyl-3,4-dihydro-1H-isoquinolin-8-amine
PubChem CID45357568
Molecular FormulaC16H24N2
Molecular Weight244.38 g/mol
Exact Mass244.19
IUPAC Name4-cyclohexyl-2-methyl-3,4-dihydro-1H-isoquinolin-8-amine
SMILESCN1Cc2c(N)cccc2C(C2CCCCC2)C1
InChIInChI=1S/C16H24N2/c1-18-10-14(12-6-3-2-4-7-12)13-8-5-9-16(17)15(13)11-18/h5,8-9,12,14H,2-4,6-7,10-11,17H2,1H3
InChIKeyAJSBXTJTHJZSOB-UHFFFAOYSA-N
XLogP3.38
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-cyclohexyl-2-methyl-3,4-dihydro-1H-isoquinolin-8-amine?
The IUPAC name of 4-cyclohexyl-2-methyl-3,4-dihydro-1H-isoquinolin-8-amine (CID 45357568) is 4-cyclohexyl-2-methyl-3,4-dihydro-1H-isoquinolin-8-amine.
What is the SMILES notation for 4-cyclohexyl-2-methyl-3,4-dihydro-1H-isoquinolin-8-amine?
The canonical SMILES for 4-cyclohexyl-2-methyl-3,4-dihydro-1H-isoquinolin-8-amine is CN1Cc2c(N)cccc2C(C2CCCCC2)C1.
What is the InChIKey of 4-cyclohexyl-2-methyl-3,4-dihydro-1H-isoquinolin-8-amine?
The InChIKey is AJSBXTJTHJZSOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2/c1-18-10-14(12-6-3-2-4-7-12)13-8-5-9-16(17)15(13)11-18/h5,8-9,12,14H,2-4,6-7,10-11,17H2,1H3.
What are the key properties of 4-cyclohexyl-2-methyl-3,4-dihydro-1H-isoquinolin-8-amine?
4-cyclohexyl-2-methyl-3,4-dihydro-1H-isoquinolin-8-amine has a molecular weight of 244.38 g/mol, XLogP of 3.38, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohexyl-2-methyl-3,4-dihydro-1H-isoquinolin-8-amine is sourced from PubChem (CID 45357568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).