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

C11H22N6 — CID 83035955

IUPACN-(diaminomethylidene)-1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine-6-carboximidamide
SMILES[H]/N=C(\N=C(N)N)N1CCC2C(CCCN2C)C1
InChIInChI=1S/C11H22N6/c1-16-5-2-3-8-7-17(6-4-9(8)16)11(14)15-10(12)13/h8-9H,2-7H2,1H3,(H5,12,13,14,15)
InChIKeyRLGAKZFFYJFWQP-UHFFFAOYSA-N
MW238.34 g/mol
LogP-0.39
Rot. Bonds

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

N-(diaminomethylidene)-1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine-6-carboximidamide (PubChem CID 83035955) has the molecular formula C11H22N6 and a molecular weight of 238.34 g/mol. Its IUPAC name is N-(diaminomethylidene)-1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine-6-carboximidamide.

Molecular Properties

Compound NameN-(diaminomethylidene)-1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine-6-carboximidamide
PubChem CID83035955
Molecular FormulaC11H22N6
Molecular Weight238.34 g/mol
Exact Mass238.19
IUPAC NameN-(diaminomethylidene)-1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine-6-carboximidamide
SMILES[H]/N=C(\N=C(N)N)N1CCC2C(CCCN2C)C1
InChIInChI=1S/C11H22N6/c1-16-5-2-3-8-7-17(6-4-9(8)16)11(14)15-10(12)13/h8-9H,2-7H2,1H3,(H5,12,13,14,15)
InChIKeyRLGAKZFFYJFWQP-UHFFFAOYSA-N
XLogP-0.39
TPSA94.73 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.34
LogP ≤ 5-0.39
H-Bond Donors ≤ 53
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-(diaminomethylidene)-1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine-6-carboximidamide?
The IUPAC name of N-(diaminomethylidene)-1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine-6-carboximidamide (CID 83035955) is N-(diaminomethylidene)-1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine-6-carboximidamide.
What is the SMILES notation for N-(diaminomethylidene)-1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine-6-carboximidamide?
The canonical SMILES for N-(diaminomethylidene)-1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine-6-carboximidamide is [H]/N=C(\N=C(N)N)N1CCC2C(CCCN2C)C1.
What is the InChIKey of N-(diaminomethylidene)-1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine-6-carboximidamide?
The InChIKey is RLGAKZFFYJFWQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N6/c1-16-5-2-3-8-7-17(6-4-9(8)16)11(14)15-10(12)13/h8-9H,2-7H2,1H3,(H5,12,13,14,15).
What are the key properties of N-(diaminomethylidene)-1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine-6-carboximidamide?
N-(diaminomethylidene)-1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine-6-carboximidamide has a molecular weight of 238.34 g/mol, XLogP of -0.39, 0 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(diaminomethylidene)-1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine-6-carboximidamide is sourced from PubChem (CID 83035955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).