N'-amino-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-2-carboximidamide

C10H20N4 — CID 77053981

IUPACN'-amino-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-2-carboximidamide
SMILESNN=C(N)N1CCC2CCCCC2C1
InChIInChI=1S/C10H20N4/c11-10(13-12)14-6-5-8-3-1-2-4-9(8)7-14/h8-9H,1-7,12H2,(H2,11,13)
InChIKeyVIOKMXPDTUDGAX-UHFFFAOYSA-N
MW196.30 g/mol
LogP0.69
Rot. Bonds

About N'-amino-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-2-carboximidamide

N'-amino-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-2-carboximidamide (PubChem CID 77053981) has the molecular formula C10H20N4 and a molecular weight of 196.30 g/mol. Its IUPAC name is N'-amino-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-2-carboximidamide.

Molecular Properties

Compound NameN'-amino-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-2-carboximidamide
PubChem CID77053981
Molecular FormulaC10H20N4
Molecular Weight196.30 g/mol
Exact Mass196.17
IUPAC NameN'-amino-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-2-carboximidamide
SMILESNN=C(N)N1CCC2CCCCC2C1
InChIInChI=1S/C10H20N4/c11-10(13-12)14-6-5-8-3-1-2-4-9(8)7-14/h8-9H,1-7,12H2,(H2,11,13)
InChIKeyVIOKMXPDTUDGAX-UHFFFAOYSA-N
XLogP0.69
TPSA67.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.30
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-amino-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-2-carboximidamide?
The IUPAC name of N'-amino-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-2-carboximidamide (CID 77053981) is N'-amino-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-2-carboximidamide.
What is the SMILES notation for N'-amino-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-2-carboximidamide?
The canonical SMILES for N'-amino-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-2-carboximidamide is NN=C(N)N1CCC2CCCCC2C1.
What is the InChIKey of N'-amino-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-2-carboximidamide?
The InChIKey is VIOKMXPDTUDGAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N4/c11-10(13-12)14-6-5-8-3-1-2-4-9(8)7-14/h8-9H,1-7,12H2,(H2,11,13).
What are the key properties of N'-amino-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-2-carboximidamide?
N'-amino-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-2-carboximidamide has a molecular weight of 196.30 g/mol, XLogP of 0.69, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-amino-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-2-carboximidamide is sourced from PubChem (CID 77053981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).