N-(isoquinolin-5-ylmethyl)-2-methylpentan-3-amine

C16H22N2 — CID 55118905

IUPACN-(isoquinolin-5-ylmethyl)-2-methylpentan-3-amine
SMILESCCC(NCc1cccc2cnccc12)C(C)C
InChIInChI=1S/C16H22N2/c1-4-16(12(2)3)18-11-14-7-5-6-13-10-17-9-8-15(13)14/h5-10,12,16,18H,4,11H2,1-3H3
InChIKeyOMYOBJNOUMDANT-UHFFFAOYSA-N
MW242.37 g/mol
LogP3.76
Rot. Bonds5

About N-(isoquinolin-5-ylmethyl)-2-methylpentan-3-amine

N-(isoquinolin-5-ylmethyl)-2-methylpentan-3-amine (PubChem CID 55118905) has the molecular formula C16H22N2 and a molecular weight of 242.37 g/mol. Its IUPAC name is N-(isoquinolin-5-ylmethyl)-2-methylpentan-3-amine.

Molecular Properties

Compound NameN-(isoquinolin-5-ylmethyl)-2-methylpentan-3-amine
PubChem CID55118905
Molecular FormulaC16H22N2
Molecular Weight242.37 g/mol
Exact Mass242.18
IUPAC NameN-(isoquinolin-5-ylmethyl)-2-methylpentan-3-amine
SMILESCCC(NCc1cccc2cnccc12)C(C)C
InChIInChI=1S/C16H22N2/c1-4-16(12(2)3)18-11-14-7-5-6-13-10-17-9-8-15(13)14/h5-10,12,16,18H,4,11H2,1-3H3
InChIKeyOMYOBJNOUMDANT-UHFFFAOYSA-N
XLogP3.76
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.37
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(isoquinolin-5-ylmethyl)-4-methylpentan-2-amine
CID 62823531
(2R)-2-(isoquinolin-5-ylmethylamino)propan-1-ol
CID 94873246
(1R)-N-(isoquinolin-5-ylmethyl)-1-phenylethanamine
CID 81351365
N-(isoquinolin-5-ylmethyl)-1-phenylethanamine
CID 62823520
3-(isoquinolin-5-ylmethylamino)butan-1-ol
CID 83177363
N-(isoquinolin-5-ylmethyl)-4-methoxybutan-2-amine
CID 64606050
N-(isoquinolin-5-ylmethyl)-1-(1H-1,2,4-triazol-5-yl)ethanamine
CID 106282290
N-(isoquinolin-5-ylmethyl)-1-(1H-pyrazol-4-yl)ethanamine
CID 106209528
1-(isoquinolin-5-ylmethylamino)pentan-2-ol
CID 113381728
5-(3-chloro-4-methylpentyl)isoquinoline
CID 64506425
1-(2-ethylphenyl)-2-(isoquinolin-5-ylmethyl)hydrazine
CID 175485819
N-[(2R)-butan-2-yl]isoquinolin-5-amine
CID 93261822

Frequently Asked Questions

What is the IUPAC name of N-(isoquinolin-5-ylmethyl)-2-methylpentan-3-amine?
The IUPAC name of N-(isoquinolin-5-ylmethyl)-2-methylpentan-3-amine (CID 55118905) is N-(isoquinolin-5-ylmethyl)-2-methylpentan-3-amine.
What is the SMILES notation for N-(isoquinolin-5-ylmethyl)-2-methylpentan-3-amine?
The canonical SMILES for N-(isoquinolin-5-ylmethyl)-2-methylpentan-3-amine is CCC(NCc1cccc2cnccc12)C(C)C.
What is the InChIKey of N-(isoquinolin-5-ylmethyl)-2-methylpentan-3-amine?
The InChIKey is OMYOBJNOUMDANT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2/c1-4-16(12(2)3)18-11-14-7-5-6-13-10-17-9-8-15(13)14/h5-10,12,16,18H,4,11H2,1-3H3.
What are the key properties of N-(isoquinolin-5-ylmethyl)-2-methylpentan-3-amine?
N-(isoquinolin-5-ylmethyl)-2-methylpentan-3-amine has a molecular weight of 242.37 g/mol, XLogP of 3.76, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(isoquinolin-5-ylmethyl)-2-methylpentan-3-amine is sourced from PubChem (CID 55118905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).