N-(isoquinolin-4-ylmethyl)-2,4-dimethylcyclohexan-1-amine

C18H24N2 — CID 115907309

IUPACN-(isoquinolin-4-ylmethyl)-2,4-dimethylcyclohexan-1-amine
SMILESCC1CCC(NCc2cncc3ccccc23)C(C)C1
InChIInChI=1S/C18H24N2/c1-13-7-8-18(14(2)9-13)20-12-16-11-19-10-15-5-3-4-6-17(15)16/h3-6,10-11,13-14,18,20H,7-9,12H2,1-2H3
InChIKeyDTUKXOXYFNQHTM-UHFFFAOYSA-N
MW268.40 g/mol
LogP4.15
Rot. Bonds3

About N-(isoquinolin-4-ylmethyl)-2,4-dimethylcyclohexan-1-amine

N-(isoquinolin-4-ylmethyl)-2,4-dimethylcyclohexan-1-amine (PubChem CID 115907309) has the molecular formula C18H24N2 and a molecular weight of 268.40 g/mol. Its IUPAC name is N-(isoquinolin-4-ylmethyl)-2,4-dimethylcyclohexan-1-amine.

Molecular Properties

Compound NameN-(isoquinolin-4-ylmethyl)-2,4-dimethylcyclohexan-1-amine
PubChem CID115907309
Molecular FormulaC18H24N2
Molecular Weight268.40 g/mol
Exact Mass268.19
IUPAC NameN-(isoquinolin-4-ylmethyl)-2,4-dimethylcyclohexan-1-amine
SMILESCC1CCC(NCc2cncc3ccccc23)C(C)C1
InChIInChI=1S/C18H24N2/c1-13-7-8-18(14(2)9-13)20-12-16-11-19-10-15-5-3-4-6-17(15)16/h3-6,10-11,13-14,18,20H,7-9,12H2,1-2H3
InChIKeyDTUKXOXYFNQHTM-UHFFFAOYSA-N
XLogP4.15
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(isoquinolin-4-ylmethyl)-2,4-dimethylcyclohexan-1-amine?
The IUPAC name of N-(isoquinolin-4-ylmethyl)-2,4-dimethylcyclohexan-1-amine (CID 115907309) is N-(isoquinolin-4-ylmethyl)-2,4-dimethylcyclohexan-1-amine.
What is the SMILES notation for N-(isoquinolin-4-ylmethyl)-2,4-dimethylcyclohexan-1-amine?
The canonical SMILES for N-(isoquinolin-4-ylmethyl)-2,4-dimethylcyclohexan-1-amine is CC1CCC(NCc2cncc3ccccc23)C(C)C1.
What is the InChIKey of N-(isoquinolin-4-ylmethyl)-2,4-dimethylcyclohexan-1-amine?
The InChIKey is DTUKXOXYFNQHTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2/c1-13-7-8-18(14(2)9-13)20-12-16-11-19-10-15-5-3-4-6-17(15)16/h3-6,10-11,13-14,18,20H,7-9,12H2,1-2H3.
What are the key properties of N-(isoquinolin-4-ylmethyl)-2,4-dimethylcyclohexan-1-amine?
N-(isoquinolin-4-ylmethyl)-2,4-dimethylcyclohexan-1-amine has a molecular weight of 268.40 g/mol, XLogP of 4.15, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(isoquinolin-4-ylmethyl)-2,4-dimethylcyclohexan-1-amine is sourced from PubChem (CID 115907309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).