N'-(4-aminocyclohexyl)-3,4-dihydro-1H-isoquinoline-2-carboximidamide

C16H24N4 — CID 163642773

IUPACN'-(4-aminocyclohexyl)-3,4-dihydro-1H-isoquinoline-2-carboximidamide
SMILESN/C(=N\C1CCC(N)CC1)N1CCc2ccccc2C1
InChIInChI=1S/C16H24N4/c17-14-5-7-15(8-6-14)19-16(18)20-10-9-12-3-1-2-4-13(12)11-20/h1-4,14-15H,5-11,17H2,(H2,18,19)
InChIKeyIFRLISMRGHJOSJ-UHFFFAOYSA-N
MW272.40 g/mol
LogP1.63
Rot. Bonds1

About N'-(4-aminocyclohexyl)-3,4-dihydro-1H-isoquinoline-2-carboximidamide

N'-(4-aminocyclohexyl)-3,4-dihydro-1H-isoquinoline-2-carboximidamide (PubChem CID 163642773) has the molecular formula C16H24N4 and a molecular weight of 272.40 g/mol. Its IUPAC name is N'-(4-aminocyclohexyl)-3,4-dihydro-1H-isoquinoline-2-carboximidamide.

Molecular Properties

Compound NameN'-(4-aminocyclohexyl)-3,4-dihydro-1H-isoquinoline-2-carboximidamide
PubChem CID163642773
Molecular FormulaC16H24N4
Molecular Weight272.40 g/mol
Exact Mass272.20
IUPAC NameN'-(4-aminocyclohexyl)-3,4-dihydro-1H-isoquinoline-2-carboximidamide
SMILESN/C(=N\C1CCC(N)CC1)N1CCc2ccccc2C1
InChIInChI=1S/C16H24N4/c17-14-5-7-15(8-6-14)19-16(18)20-10-9-12-3-1-2-4-13(12)11-20/h1-4,14-15H,5-11,17H2,(H2,18,19)
InChIKeyIFRLISMRGHJOSJ-UHFFFAOYSA-N
XLogP1.63
TPSA67.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.40
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

N'-cyclopropyl-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carboximidamide
CID 62360444
N'-ethyl-3,4-dihydro-1H-isoquinoline-2-carboximidamide;hydroiodide
CID 110911923
(3-aminocyclopentyl)-(3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 66030477
2-(4-aminopiperidin-1-yl)-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone
CID 43556488
N-amino-N'-cyclopropyl-1,3-dihydroisoindole-2-carboximidamide
CID 116513680
4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)cyclohexan-1-amine
CID 60850529
N,N'-dicyclohexyl-3,4-dihydro-1H-isoquinoline-2-carboximidamide
CID 11702851
cyclohexanamine;4-(3,4-dihydro-1H-isoquinolin-2-yl)-4-oxobutanoic acid
CID 66525483
N-[2-[(4-aminocyclohexyl)amino]-2-oxoethyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide;hydrochloride
CID 119477887
2-[(3S)-3-aminopyrrolidin-1-yl]-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone
CID 81491436
(4-aminooxan-2-yl)-(3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 163402060
N'-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-3,4-dihydro-1H-isoquinoline-2-carboximidamide
CID 58103981

Frequently Asked Questions

What is the IUPAC name of N'-(4-aminocyclohexyl)-3,4-dihydro-1H-isoquinoline-2-carboximidamide?
The IUPAC name of N'-(4-aminocyclohexyl)-3,4-dihydro-1H-isoquinoline-2-carboximidamide (CID 163642773) is N'-(4-aminocyclohexyl)-3,4-dihydro-1H-isoquinoline-2-carboximidamide.
What is the SMILES notation for N'-(4-aminocyclohexyl)-3,4-dihydro-1H-isoquinoline-2-carboximidamide?
The canonical SMILES for N'-(4-aminocyclohexyl)-3,4-dihydro-1H-isoquinoline-2-carboximidamide is N/C(=N\C1CCC(N)CC1)N1CCc2ccccc2C1.
What is the InChIKey of N'-(4-aminocyclohexyl)-3,4-dihydro-1H-isoquinoline-2-carboximidamide?
The InChIKey is IFRLISMRGHJOSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4/c17-14-5-7-15(8-6-14)19-16(18)20-10-9-12-3-1-2-4-13(12)11-20/h1-4,14-15H,5-11,17H2,(H2,18,19).
What are the key properties of N'-(4-aminocyclohexyl)-3,4-dihydro-1H-isoquinoline-2-carboximidamide?
N'-(4-aminocyclohexyl)-3,4-dihydro-1H-isoquinoline-2-carboximidamide has a molecular weight of 272.40 g/mol, XLogP of 1.63, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-aminocyclohexyl)-3,4-dihydro-1H-isoquinoline-2-carboximidamide is sourced from PubChem (CID 163642773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).