1-isoquinolin-4-yl-5-methyl-2-propan-2-ylcyclohexan-1-amine

C19H26N2 — CID 63939381

IUPAC1-isoquinolin-4-yl-5-methyl-2-propan-2-ylcyclohexan-1-amine
SMILESCC1CCC(C(C)C)C(N)(c2cncc3ccccc23)C1
InChIInChI=1S/C19H26N2/c1-13(2)17-9-8-14(3)10-19(17,20)18-12-21-11-15-6-4-5-7-16(15)18/h4-7,11-14,17H,8-10,20H2,1-3H3
InChIKeyLMKCBAUDCKOOAQ-UHFFFAOYSA-N
MW282.43 g/mol
LogP4.48
Rot. Bonds2

About 1-isoquinolin-4-yl-5-methyl-2-propan-2-ylcyclohexan-1-amine

1-isoquinolin-4-yl-5-methyl-2-propan-2-ylcyclohexan-1-amine (PubChem CID 63939381) has the molecular formula C19H26N2 and a molecular weight of 282.43 g/mol. Its IUPAC name is 1-isoquinolin-4-yl-5-methyl-2-propan-2-ylcyclohexan-1-amine.

Molecular Properties

Compound Name1-isoquinolin-4-yl-5-methyl-2-propan-2-ylcyclohexan-1-amine
PubChem CID63939381
Molecular FormulaC19H26N2
Molecular Weight282.43 g/mol
Exact Mass282.21
IUPAC Name1-isoquinolin-4-yl-5-methyl-2-propan-2-ylcyclohexan-1-amine
SMILESCC1CCC(C(C)C)C(N)(c2cncc3ccccc23)C1
InChIInChI=1S/C19H26N2/c1-13(2)17-9-8-14(3)10-19(17,20)18-12-21-11-15-6-4-5-7-16(15)18/h4-7,11-14,17H,8-10,20H2,1-3H3
InChIKeyLMKCBAUDCKOOAQ-UHFFFAOYSA-N
XLogP4.48
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.43
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-isoquinolin-4-yl-5-methyl-2-propan-2-ylcyclohexan-1-amine?
The IUPAC name of 1-isoquinolin-4-yl-5-methyl-2-propan-2-ylcyclohexan-1-amine (CID 63939381) is 1-isoquinolin-4-yl-5-methyl-2-propan-2-ylcyclohexan-1-amine.
What is the SMILES notation for 1-isoquinolin-4-yl-5-methyl-2-propan-2-ylcyclohexan-1-amine?
The canonical SMILES for 1-isoquinolin-4-yl-5-methyl-2-propan-2-ylcyclohexan-1-amine is CC1CCC(C(C)C)C(N)(c2cncc3ccccc23)C1.
What is the InChIKey of 1-isoquinolin-4-yl-5-methyl-2-propan-2-ylcyclohexan-1-amine?
The InChIKey is LMKCBAUDCKOOAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2/c1-13(2)17-9-8-14(3)10-19(17,20)18-12-21-11-15-6-4-5-7-16(15)18/h4-7,11-14,17H,8-10,20H2,1-3H3.
What are the key properties of 1-isoquinolin-4-yl-5-methyl-2-propan-2-ylcyclohexan-1-amine?
1-isoquinolin-4-yl-5-methyl-2-propan-2-ylcyclohexan-1-amine has a molecular weight of 282.43 g/mol, XLogP of 4.48, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-isoquinolin-4-yl-5-methyl-2-propan-2-ylcyclohexan-1-amine is sourced from PubChem (CID 63939381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).