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

C14H28N4 — CID 81198894

IUPACN'-tert-butyl-1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine-6-carboximidamide
SMILESCN1CCCC2CN(/C(N)=N/C(C)(C)C)CCC21
InChIInChI=1S/C14H28N4/c1-14(2,3)16-13(15)18-9-7-12-11(10-18)6-5-8-17(12)4/h11-12H,5-10H2,1-4H3,(H2,15,16)
InChIKeySNSRRRUBDLKZII-UHFFFAOYSA-N
MW252.41 g/mol
LogP1.52
Rot. Bonds

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

N'-tert-butyl-1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine-6-carboximidamide (PubChem CID 81198894) has the molecular formula C14H28N4 and a molecular weight of 252.41 g/mol. Its IUPAC name is N'-tert-butyl-1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine-6-carboximidamide.

Molecular Properties

Compound NameN'-tert-butyl-1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine-6-carboximidamide
PubChem CID81198894
Molecular FormulaC14H28N4
Molecular Weight252.41 g/mol
Exact Mass252.23
IUPAC NameN'-tert-butyl-1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine-6-carboximidamide
SMILESCN1CCCC2CN(/C(N)=N/C(C)(C)C)CCC21
InChIInChI=1S/C14H28N4/c1-14(2,3)16-13(15)18-9-7-12-11(10-18)6-5-8-17(12)4/h11-12H,5-10H2,1-4H3,(H2,15,16)
InChIKeySNSRRRUBDLKZII-UHFFFAOYSA-N
XLogP1.52
TPSA44.86 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.41
LogP ≤ 51.52
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'}

Analyze N'-tert-butyl-1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine-6-carboximidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N'-tert-butyl-1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine-6-carboximidamide?
The IUPAC name of N'-tert-butyl-1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine-6-carboximidamide (CID 81198894) is N'-tert-butyl-1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine-6-carboximidamide.
What is the SMILES notation for N'-tert-butyl-1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine-6-carboximidamide?
The canonical SMILES for N'-tert-butyl-1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine-6-carboximidamide is CN1CCCC2CN(/C(N)=N/C(C)(C)C)CCC21.
What is the InChIKey of N'-tert-butyl-1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine-6-carboximidamide?
The InChIKey is SNSRRRUBDLKZII-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N4/c1-14(2,3)16-13(15)18-9-7-12-11(10-18)6-5-8-17(12)4/h11-12H,5-10H2,1-4H3,(H2,15,16).
What are the key properties of N'-tert-butyl-1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine-6-carboximidamide?
N'-tert-butyl-1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine-6-carboximidamide has a molecular weight of 252.41 g/mol, XLogP of 1.52, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-tert-butyl-1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine-6-carboximidamide is sourced from PubChem (CID 81198894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).