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

C13H23N3 — CID 62362111

IUPACN'-cyclopropyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-2-carboximidamide
SMILESN/C(=N\C1CC1)N1CCC2CCCCC2C1
InChIInChI=1S/C13H23N3/c14-13(15-12-5-6-12)16-8-7-10-3-1-2-4-11(10)9-16/h10-12H,1-9H2,(H2,14,15)
InChIKeyMOWVMAKEWSLKNH-UHFFFAOYSA-N
MW221.35 g/mol
LogP1.98
Rot. Bonds1

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

N'-cyclopropyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-2-carboximidamide (PubChem CID 62362111) has the molecular formula C13H23N3 and a molecular weight of 221.35 g/mol. Its IUPAC name is N'-cyclopropyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-2-carboximidamide.

Molecular Properties

Compound NameN'-cyclopropyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-2-carboximidamide
PubChem CID62362111
Molecular FormulaC13H23N3
Molecular Weight221.35 g/mol
Exact Mass221.19
IUPAC NameN'-cyclopropyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-2-carboximidamide
SMILESN/C(=N\C1CC1)N1CCC2CCCCC2C1
InChIInChI=1S/C13H23N3/c14-13(15-12-5-6-12)16-8-7-10-3-1-2-4-11(10)9-16/h10-12H,1-9H2,(H2,14,15)
InChIKeyMOWVMAKEWSLKNH-UHFFFAOYSA-N
XLogP1.98
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.35
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-cyclopropyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-2-carboximidamide?
The IUPAC name of N'-cyclopropyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-2-carboximidamide (CID 62362111) is N'-cyclopropyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-2-carboximidamide.
What is the SMILES notation for N'-cyclopropyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-2-carboximidamide?
The canonical SMILES for N'-cyclopropyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-2-carboximidamide is N/C(=N\C1CC1)N1CCC2CCCCC2C1.
What is the InChIKey of N'-cyclopropyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-2-carboximidamide?
The InChIKey is MOWVMAKEWSLKNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3/c14-13(15-12-5-6-12)16-8-7-10-3-1-2-4-11(10)9-16/h10-12H,1-9H2,(H2,14,15).
What are the key properties of N'-cyclopropyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-2-carboximidamide?
N'-cyclopropyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-2-carboximidamide has a molecular weight of 221.35 g/mol, XLogP of 1.98, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclopropyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-2-carboximidamide is sourced from PubChem (CID 62362111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).