2-isoquinolin-5-ylcyclohexan-1-amine

C15H18N2 — CID 62812316

IUPAC2-isoquinolin-5-ylcyclohexan-1-amine
SMILESNC1CCCCC1c1cccc2cnccc12
InChIInChI=1S/C15H18N2/c16-15-7-2-1-5-14(15)13-6-3-4-11-10-17-9-8-12(11)13/h3-4,6,8-10,14-15H,1-2,5,7,16H2
InChIKeyMVGDJGOQJUTTAZ-UHFFFAOYSA-N
MW226.32 g/mol
LogP3.22
Rot. Bonds1

About 2-isoquinolin-5-ylcyclohexan-1-amine

2-isoquinolin-5-ylcyclohexan-1-amine (PubChem CID 62812316) has the molecular formula C15H18N2 and a molecular weight of 226.32 g/mol. Its IUPAC name is 2-isoquinolin-5-ylcyclohexan-1-amine.

Molecular Properties

Compound Name2-isoquinolin-5-ylcyclohexan-1-amine
PubChem CID62812316
Molecular FormulaC15H18N2
Molecular Weight226.32 g/mol
Exact Mass226.15
IUPAC Name2-isoquinolin-5-ylcyclohexan-1-amine
SMILESNC1CCCCC1c1cccc2cnccc12
InChIInChI=1S/C15H18N2/c16-15-7-2-1-5-14(15)13-6-3-4-11-10-17-9-8-12(11)13/h3-4,6,8-10,14-15H,1-2,5,7,16H2
InChIKeyMVGDJGOQJUTTAZ-UHFFFAOYSA-N
XLogP3.22
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-isoquinolin-4-ylcyclohexan-1-amine
CID 63938244
(2-isoquinolin-5-ylcyclopentyl)methanamine
CID 81010560
2-isoquinolin-5-yl-N-methylcyclohexan-1-amine
CID 62812477
2-isoquinolin-4-ylcyclopentan-1-amine
CID 63938433
5-pyrrolidin-3-ylisoquinoline
CID 82607299
5-[(2S)-pyrrolidin-2-yl]isoquinoline
CID 66518641
4-ethyl-2-isoquinolin-8-ylcyclohexan-1-amine
CID 103132423
5-(3-ethylpiperidin-4-yl)isoquinoline
CID 114510663
2-isoquinolin-8-yl-4-methylcyclohexan-1-amine
CID 103132421
4-isoquinolin-5-ylcyclohexan-1-one
CID 83262300
5-(3-bromocyclohexyl)isoquinoline
CID 64507153
2-isoquinolin-8-yl-N-methylcycloheptan-1-amine
CID 103139261

Frequently Asked Questions

What is the IUPAC name of 2-isoquinolin-5-ylcyclohexan-1-amine?
The IUPAC name of 2-isoquinolin-5-ylcyclohexan-1-amine (CID 62812316) is 2-isoquinolin-5-ylcyclohexan-1-amine.
What is the SMILES notation for 2-isoquinolin-5-ylcyclohexan-1-amine?
The canonical SMILES for 2-isoquinolin-5-ylcyclohexan-1-amine is NC1CCCCC1c1cccc2cnccc12.
What is the InChIKey of 2-isoquinolin-5-ylcyclohexan-1-amine?
The InChIKey is MVGDJGOQJUTTAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2/c16-15-7-2-1-5-14(15)13-6-3-4-11-10-17-9-8-12(11)13/h3-4,6,8-10,14-15H,1-2,5,7,16H2.
What are the key properties of 2-isoquinolin-5-ylcyclohexan-1-amine?
2-isoquinolin-5-ylcyclohexan-1-amine has a molecular weight of 226.32 g/mol, XLogP of 3.22, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-isoquinolin-5-ylcyclohexan-1-amine is sourced from PubChem (CID 62812316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).