isoquinolin-4-yl-(3-methylcyclohexyl)methanamine

C17H22N2 — CID 63938819

IUPACisoquinolin-4-yl-(3-methylcyclohexyl)methanamine
SMILESCC1CCCC(C(N)c2cncc3ccccc23)C1
InChIInChI=1S/C17H22N2/c1-12-5-4-7-13(9-12)17(18)16-11-19-10-14-6-2-3-8-15(14)16/h2-3,6,8,10-13,17H,4-5,7,9,18H2,1H3
InChIKeyCFCCYWBRVFMCFR-UHFFFAOYSA-N
MW254.38 g/mol
LogP4.06
Rot. Bonds2

About isoquinolin-4-yl-(3-methylcyclohexyl)methanamine

isoquinolin-4-yl-(3-methylcyclohexyl)methanamine (PubChem CID 63938819) has the molecular formula C17H22N2 and a molecular weight of 254.38 g/mol. Its IUPAC name is isoquinolin-4-yl-(3-methylcyclohexyl)methanamine.

Molecular Properties

Compound Nameisoquinolin-4-yl-(3-methylcyclohexyl)methanamine
PubChem CID63938819
Molecular FormulaC17H22N2
Molecular Weight254.38 g/mol
Exact Mass254.18
IUPAC Nameisoquinolin-4-yl-(3-methylcyclohexyl)methanamine
SMILESCC1CCCC(C(N)c2cncc3ccccc23)C1
InChIInChI=1S/C17H22N2/c1-12-5-4-7-13(9-12)17(18)16-11-19-10-14-6-2-3-8-15(14)16/h2-3,6,8,10-13,17H,4-5,7,9,18H2,1H3
InChIKeyCFCCYWBRVFMCFR-UHFFFAOYSA-N
XLogP4.06
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.38
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

cyclopropyl(isoquinolin-4-yl)methanamine
CID 63939976
(3-ethylcyclopentyl)-isoquinolin-4-ylmethanamine
CID 65411208
isoquinolin-4-yl(oxan-3-yl)methanamine
CID 65331748
(3,5-dimethylcyclohexyl)-isoquinolin-4-ylmethanol
CID 104504589
(3-methylcyclohexyl)-naphthalen-1-ylmethanol
CID 63411173
[cyclohexyl(isoquinolin-4-yl)methyl]hydrazine
CID 105201816
(R)-cyclobutyl(naphthalen-1-yl)methanamine;hydrochloride
CID 171212042
isoquinolin-4-yl-(1-methoxy-3-methylcyclohexyl)methanol
CID 116755033
[isoquinolin-4-yl-(2-methylcyclopropyl)methyl]hydrazine
CID 105234888
(1,5-dimethylpyrazol-4-yl)-(3-methylcyclohexyl)methanamine
CID 105155931
methyl 2-(cyclopropylamino)-2-isoquinolin-4-ylacetate
CID 104504264
7-bicyclo[4.1.0]heptanyl(isoquinolin-4-yl)methanol
CID 115798046

Frequently Asked Questions

What is the IUPAC name of isoquinolin-4-yl-(3-methylcyclohexyl)methanamine?
The IUPAC name of isoquinolin-4-yl-(3-methylcyclohexyl)methanamine (CID 63938819) is isoquinolin-4-yl-(3-methylcyclohexyl)methanamine.
What is the SMILES notation for isoquinolin-4-yl-(3-methylcyclohexyl)methanamine?
The canonical SMILES for isoquinolin-4-yl-(3-methylcyclohexyl)methanamine is CC1CCCC(C(N)c2cncc3ccccc23)C1.
What is the InChIKey of isoquinolin-4-yl-(3-methylcyclohexyl)methanamine?
The InChIKey is CFCCYWBRVFMCFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2/c1-12-5-4-7-13(9-12)17(18)16-11-19-10-14-6-2-3-8-15(14)16/h2-3,6,8,10-13,17H,4-5,7,9,18H2,1H3.
What are the key properties of isoquinolin-4-yl-(3-methylcyclohexyl)methanamine?
isoquinolin-4-yl-(3-methylcyclohexyl)methanamine has a molecular weight of 254.38 g/mol, XLogP of 4.06, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for isoquinolin-4-yl-(3-methylcyclohexyl)methanamine is sourced from PubChem (CID 63938819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).