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

C14H28N4 — CID 81199777

IUPAC1-methyl-N'-(2-methylpropyl)-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine-6-carboximidamide
SMILESCC(C)C/N=C(\N)N1CCC2C(CCCN2C)C1
InChIInChI=1S/C14H28N4/c1-11(2)9-16-14(15)18-8-6-13-12(10-18)5-4-7-17(13)3/h11-13H,4-10H2,1-3H3,(H2,15,16)
InChIKeyFBNNSVKEFYHUAF-UHFFFAOYSA-N
MW252.41 g/mol
LogP1.37
Rot. Bonds2

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

1-methyl-N'-(2-methylpropyl)-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine-6-carboximidamide (PubChem CID 81199777) has the molecular formula C14H28N4 and a molecular weight of 252.41 g/mol. Its IUPAC name is 1-methyl-N'-(2-methylpropyl)-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine-6-carboximidamide.

Molecular Properties

Compound Name1-methyl-N'-(2-methylpropyl)-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine-6-carboximidamide
PubChem CID81199777
Molecular FormulaC14H28N4
Molecular Weight252.41 g/mol
Exact Mass252.23
IUPAC Name1-methyl-N'-(2-methylpropyl)-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine-6-carboximidamide
SMILESCC(C)C/N=C(\N)N1CCC2C(CCCN2C)C1
InChIInChI=1S/C14H28N4/c1-11(2)9-16-14(15)18-8-6-13-12(10-18)5-4-7-17(13)3/h11-13H,4-10H2,1-3H3,(H2,15,16)
InChIKeyFBNNSVKEFYHUAF-UHFFFAOYSA-N
XLogP1.37
TPSA44.86 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.41
LogP ≤ 51.37
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'-(2-methylpropyl)-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine-6-carboximidamide?
The IUPAC name of 1-methyl-N'-(2-methylpropyl)-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine-6-carboximidamide (CID 81199777) is 1-methyl-N'-(2-methylpropyl)-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine-6-carboximidamide.
What is the SMILES notation for 1-methyl-N'-(2-methylpropyl)-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine-6-carboximidamide?
The canonical SMILES for 1-methyl-N'-(2-methylpropyl)-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine-6-carboximidamide is CC(C)C/N=C(\N)N1CCC2C(CCCN2C)C1.
What is the InChIKey of 1-methyl-N'-(2-methylpropyl)-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine-6-carboximidamide?
The InChIKey is FBNNSVKEFYHUAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N4/c1-11(2)9-16-14(15)18-8-6-13-12(10-18)5-4-7-17(13)3/h11-13H,4-10H2,1-3H3,(H2,15,16).
What are the key properties of 1-methyl-N'-(2-methylpropyl)-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine-6-carboximidamide?
1-methyl-N'-(2-methylpropyl)-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 1.37, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N'-(2-methylpropyl)-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine-6-carboximidamide is sourced from PubChem (CID 81199777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).