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

C13H26N4 — CID 81199203

IUPAC1-methyl-N'-propyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine-6-carboximidamide
SMILESCCC/N=C(\N)N1CCC2C(CCCN2C)C1
InChIInChI=1S/C13H26N4/c1-3-7-15-13(14)17-9-6-12-11(10-17)5-4-8-16(12)2/h11-12H,3-10H2,1-2H3,(H2,14,15)
InChIKeyFLSGKGASGVFFMD-UHFFFAOYSA-N
MW238.38 g/mol
LogP1.13
Rot. Bonds2

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

1-methyl-N'-propyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine-6-carboximidamide (PubChem CID 81199203) has the molecular formula C13H26N4 and a molecular weight of 238.38 g/mol. Its IUPAC name is 1-methyl-N'-propyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine-6-carboximidamide.

Molecular Properties

Compound Name1-methyl-N'-propyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine-6-carboximidamide
PubChem CID81199203
Molecular FormulaC13H26N4
Molecular Weight238.38 g/mol
Exact Mass238.22
IUPAC Name1-methyl-N'-propyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine-6-carboximidamide
SMILESCCC/N=C(\N)N1CCC2C(CCCN2C)C1
InChIInChI=1S/C13H26N4/c1-3-7-15-13(14)17-9-6-12-11(10-17)5-4-8-16(12)2/h11-12H,3-10H2,1-2H3,(H2,14,15)
InChIKeyFLSGKGASGVFFMD-UHFFFAOYSA-N
XLogP1.13
TPSA44.86 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.38
LogP ≤ 51.13
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 1-methyl-N'-propyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine-6-carboximidamide?
The IUPAC name of 1-methyl-N'-propyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine-6-carboximidamide (CID 81199203) is 1-methyl-N'-propyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine-6-carboximidamide.
What is the SMILES notation for 1-methyl-N'-propyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine-6-carboximidamide?
The canonical SMILES for 1-methyl-N'-propyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine-6-carboximidamide is CCC/N=C(\N)N1CCC2C(CCCN2C)C1.
What is the InChIKey of 1-methyl-N'-propyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine-6-carboximidamide?
The InChIKey is FLSGKGASGVFFMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N4/c1-3-7-15-13(14)17-9-6-12-11(10-17)5-4-8-16(12)2/h11-12H,3-10H2,1-2H3,(H2,14,15).
What are the key properties of 1-methyl-N'-propyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine-6-carboximidamide?
1-methyl-N'-propyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine-6-carboximidamide has a molecular weight of 238.38 g/mol, XLogP of 1.13, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N'-propyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine-6-carboximidamide is sourced from PubChem (CID 81199203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).