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

C16H29N3 — CID 55064197

IUPACN'-cyclohexyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-2-carboximidamide
SMILESN/C(=N\C1CCCCC1)N1CCC2CCCCC2C1
InChIInChI=1S/C16H29N3/c17-16(18-15-8-2-1-3-9-15)19-11-10-13-6-4-5-7-14(13)12-19/h13-15H,1-12H2,(H2,17,18)
InChIKeyBMOCTBPWKQCVCM-UHFFFAOYSA-N
MW263.43 g/mol
LogP3.15
Rot. Bonds1

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

N'-cyclohexyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-2-carboximidamide (PubChem CID 55064197) has the molecular formula C16H29N3 and a molecular weight of 263.43 g/mol. Its IUPAC name is N'-cyclohexyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-2-carboximidamide.

Molecular Properties

Compound NameN'-cyclohexyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-2-carboximidamide
PubChem CID55064197
Molecular FormulaC16H29N3
Molecular Weight263.43 g/mol
Exact Mass263.24
IUPAC NameN'-cyclohexyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-2-carboximidamide
SMILESN/C(=N\C1CCCCC1)N1CCC2CCCCC2C1
InChIInChI=1S/C16H29N3/c17-16(18-15-8-2-1-3-9-15)19-11-10-13-6-4-5-7-14(13)12-19/h13-15H,1-12H2,(H2,17,18)
InChIKeyBMOCTBPWKQCVCM-UHFFFAOYSA-N
XLogP3.15
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.43
LogP ≤ 53.15
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'-cyclohexyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-2-carboximidamide?
The IUPAC name of N'-cyclohexyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-2-carboximidamide (CID 55064197) is N'-cyclohexyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-2-carboximidamide.
What is the SMILES notation for N'-cyclohexyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-2-carboximidamide?
The canonical SMILES for N'-cyclohexyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-2-carboximidamide is N/C(=N\C1CCCCC1)N1CCC2CCCCC2C1.
What is the InChIKey of N'-cyclohexyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-2-carboximidamide?
The InChIKey is BMOCTBPWKQCVCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3/c17-16(18-15-8-2-1-3-9-15)19-11-10-13-6-4-5-7-14(13)12-19/h13-15H,1-12H2,(H2,17,18).
What are the key properties of N'-cyclohexyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-2-carboximidamide?
N'-cyclohexyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-2-carboximidamide has a molecular weight of 263.43 g/mol, XLogP of 3.15, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclohexyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-2-carboximidamide is sourced from PubChem (CID 55064197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).