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

C13H24N4 — CID 81199644

IUPACN'-cyclopropyl-1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine-6-carboximidamide
SMILESCN1CCCC2CN(/C(N)=N/C3CC3)CCC21
InChIInChI=1S/C13H24N4/c1-16-7-2-3-10-9-17(8-6-12(10)16)13(14)15-11-4-5-11/h10-12H,2-9H2,1H3,(H2,14,15)
InChIKeySSTMHOZJRJCGGD-UHFFFAOYSA-N
MW236.36 g/mol
LogP0.88
Rot. Bonds1

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

N'-cyclopropyl-1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine-6-carboximidamide (PubChem CID 81199644) has the molecular formula C13H24N4 and a molecular weight of 236.36 g/mol. Its IUPAC name is N'-cyclopropyl-1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine-6-carboximidamide.

Molecular Properties

Compound NameN'-cyclopropyl-1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine-6-carboximidamide
PubChem CID81199644
Molecular FormulaC13H24N4
Molecular Weight236.36 g/mol
Exact Mass236.20
IUPAC NameN'-cyclopropyl-1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine-6-carboximidamide
SMILESCN1CCCC2CN(/C(N)=N/C3CC3)CCC21
InChIInChI=1S/C13H24N4/c1-16-7-2-3-10-9-17(8-6-12(10)16)13(14)15-11-4-5-11/h10-12H,2-9H2,1H3,(H2,14,15)
InChIKeySSTMHOZJRJCGGD-UHFFFAOYSA-N
XLogP0.88
TPSA44.86 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 50.88
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'-cyclopropyl-1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine-6-carboximidamide?
The IUPAC name of N'-cyclopropyl-1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine-6-carboximidamide (CID 81199644) is N'-cyclopropyl-1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine-6-carboximidamide.
What is the SMILES notation for N'-cyclopropyl-1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine-6-carboximidamide?
The canonical SMILES for N'-cyclopropyl-1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine-6-carboximidamide is CN1CCCC2CN(/C(N)=N/C3CC3)CCC21.
What is the InChIKey of N'-cyclopropyl-1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine-6-carboximidamide?
The InChIKey is SSTMHOZJRJCGGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4/c1-16-7-2-3-10-9-17(8-6-12(10)16)13(14)15-11-4-5-11/h10-12H,2-9H2,1H3,(H2,14,15).
What are the key properties of N'-cyclopropyl-1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine-6-carboximidamide?
N'-cyclopropyl-1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine-6-carboximidamide has a molecular weight of 236.36 g/mol, XLogP of 0.88, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclopropyl-1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine-6-carboximidamide is sourced from PubChem (CID 81199644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).