N-[1-(aminomethyl)cyclopentyl]isoquinoline-1-carboxamide;dihydrochloride

C16H21Cl2N3O — CID 119566360

IUPACN-[1-(aminomethyl)cyclopentyl]isoquinoline-1-carboxamide;dihydrochloride
SMILESCl.Cl.NCC1(NC(=O)c2nccc3ccccc23)CCCC1
InChIInChI=1S/C16H19N3O.2ClH/c17-11-16(8-3-4-9-16)19-15(20)14-13-6-2-1-5-12(13)7-10-18-14;;/h1-2,5-7,10H,3-4,8-9,11,17H2,(H,19,20);2*1H
InChIKeyBXNRJJATCQQESH-UHFFFAOYSA-N
MW342.27 g/mol
LogP3.08
Rot. Bonds3

About N-[1-(aminomethyl)cyclopentyl]isoquinoline-1-carboxamide;dihydrochloride

N-[1-(aminomethyl)cyclopentyl]isoquinoline-1-carboxamide;dihydrochloride (PubChem CID 119566360) has the molecular formula C16H21Cl2N3O and a molecular weight of 342.27 g/mol. Its IUPAC name is N-[1-(aminomethyl)cyclopentyl]isoquinoline-1-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-[1-(aminomethyl)cyclopentyl]isoquinoline-1-carboxamide;dihydrochloride
PubChem CID119566360
Molecular FormulaC16H21Cl2N3O
Molecular Weight342.27 g/mol
Exact Mass341.11
IUPAC NameN-[1-(aminomethyl)cyclopentyl]isoquinoline-1-carboxamide;dihydrochloride
SMILESCl.Cl.NCC1(NC(=O)c2nccc3ccccc23)CCCC1
InChIInChI=1S/C16H19N3O.2ClH/c17-11-16(8-3-4-9-16)19-15(20)14-13-6-2-1-5-12(13)7-10-18-14;;/h1-2,5-7,10H,3-4,8-9,11,17H2,(H,19,20);2*1H
InChIKeyBXNRJJATCQQESH-UHFFFAOYSA-N
XLogP3.08
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.27
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(aminomethyl)cyclopentyl]naphthalene-1-carboxamide
CID 63753414
4-(isoquinoline-1-carbonylamino)oxane-4-carboxylic acid
CID 119068389
N-[1-(aminomethyl)cyclopentyl]-1-benzofuran-3-carboxamide;hydrochloride
CID 119568451
isoquinoline-1-carboxamide;hydrochloride
CID 57458906
N-[2-(aminomethyl)cyclohexyl]isoquinoline-1-carboxamide;dihydrochloride
CID 119610583
N-cyanoisoquinoline-1-carboxamide
CID 79195408
3-hydroxy-N-[1-(hydroxymethyl)cyclopentyl]pyridine-2-carboxamide
CID 55081325
N-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)cyclohexyl]isoquinoline-1-carboxamide
CID 53181931
N-(4-amino-2,2-dimethylbutyl)isoquinoline-1-carboxamide
CID 106140221
3-amino-N-[1-(hydroxymethyl)cyclohexyl]pyridine-2-carboxamide
CID 113447709
N-(1-amino-4-methylpentan-2-yl)isoquinoline-1-carboxamide;dihydrochloride
CID 119586830
N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)isoquinoline-1-carboxamide
CID 60611899

Frequently Asked Questions

What is the IUPAC name of N-[1-(aminomethyl)cyclopentyl]isoquinoline-1-carboxamide;dihydrochloride?
The IUPAC name of N-[1-(aminomethyl)cyclopentyl]isoquinoline-1-carboxamide;dihydrochloride (CID 119566360) is N-[1-(aminomethyl)cyclopentyl]isoquinoline-1-carboxamide;dihydrochloride.
What is the SMILES notation for N-[1-(aminomethyl)cyclopentyl]isoquinoline-1-carboxamide;dihydrochloride?
The canonical SMILES for N-[1-(aminomethyl)cyclopentyl]isoquinoline-1-carboxamide;dihydrochloride is Cl.Cl.NCC1(NC(=O)c2nccc3ccccc23)CCCC1.
What is the InChIKey of N-[1-(aminomethyl)cyclopentyl]isoquinoline-1-carboxamide;dihydrochloride?
The InChIKey is BXNRJJATCQQESH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O.2ClH/c17-11-16(8-3-4-9-16)19-15(20)14-13-6-2-1-5-12(13)7-10-18-14;;/h1-2,5-7,10H,3-4,8-9,11,17H2,(H,19,20);2*1H.
What are the key properties of N-[1-(aminomethyl)cyclopentyl]isoquinoline-1-carboxamide;dihydrochloride?
N-[1-(aminomethyl)cyclopentyl]isoquinoline-1-carboxamide;dihydrochloride has a molecular weight of 342.27 g/mol, XLogP of 3.08, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(aminomethyl)cyclopentyl]isoquinoline-1-carboxamide;dihydrochloride is sourced from PubChem (CID 119566360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).