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

C16H30N4 — CID 81199517

IUPACN'-cyclohexyl-1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine-6-carboximidamide
SMILESCN1CCCC2CN(/C(N)=N/C3CCCCC3)CCC21
InChIInChI=1S/C16H30N4/c1-19-10-5-6-13-12-20(11-9-15(13)19)16(17)18-14-7-3-2-4-8-14/h13-15H,2-12H2,1H3,(H2,17,18)
InChIKeyKJBRAOSIVCRDEL-UHFFFAOYSA-N
MW278.44 g/mol
LogP2.05
Rot. Bonds1

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

N'-cyclohexyl-1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine-6-carboximidamide (PubChem CID 81199517) has the molecular formula C16H30N4 and a molecular weight of 278.44 g/mol. Its IUPAC name is N'-cyclohexyl-1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine-6-carboximidamide.

Molecular Properties

Compound NameN'-cyclohexyl-1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine-6-carboximidamide
PubChem CID81199517
Molecular FormulaC16H30N4
Molecular Weight278.44 g/mol
Exact Mass278.25
IUPAC NameN'-cyclohexyl-1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine-6-carboximidamide
SMILESCN1CCCC2CN(/C(N)=N/C3CCCCC3)CCC21
InChIInChI=1S/C16H30N4/c1-19-10-5-6-13-12-20(11-9-15(13)19)16(17)18-14-7-3-2-4-8-14/h13-15H,2-12H2,1H3,(H2,17,18)
InChIKeyKJBRAOSIVCRDEL-UHFFFAOYSA-N
XLogP2.05
TPSA44.86 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.44
LogP ≤ 52.05
H-Bond Donors ≤ 51
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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Frequently Asked Questions

What is the IUPAC name of N'-cyclohexyl-1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine-6-carboximidamide?
The IUPAC name of N'-cyclohexyl-1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine-6-carboximidamide (CID 81199517) is N'-cyclohexyl-1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine-6-carboximidamide.
What is the SMILES notation for N'-cyclohexyl-1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine-6-carboximidamide?
The canonical SMILES for N'-cyclohexyl-1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine-6-carboximidamide is CN1CCCC2CN(/C(N)=N/C3CCCCC3)CCC21.
What is the InChIKey of N'-cyclohexyl-1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine-6-carboximidamide?
The InChIKey is KJBRAOSIVCRDEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N4/c1-19-10-5-6-13-12-20(11-9-15(13)19)16(17)18-14-7-3-2-4-8-14/h13-15H,2-12H2,1H3,(H2,17,18).
What are the key properties of N'-cyclohexyl-1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine-6-carboximidamide?
N'-cyclohexyl-1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine-6-carboximidamide has a molecular weight of 278.44 g/mol, XLogP of 2.05, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclohexyl-1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine-6-carboximidamide is sourced from PubChem (CID 81199517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).