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

C11H22N4 — CID 81199518

IUPACN',1-dimethyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine-6-carboximidamide
SMILESC/N=C(\N)N1CCC2C(CCCN2C)C1
InChIInChI=1S/C11H22N4/c1-13-11(12)15-7-5-10-9(8-15)4-3-6-14(10)2/h9-10H,3-8H2,1-2H3,(H2,12,13)
InChIKeyZXAIUSVRVPNJLV-UHFFFAOYSA-N
MW210.32 g/mol
LogP0.35
Rot. Bonds

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

N',1-dimethyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine-6-carboximidamide (PubChem CID 81199518) has the molecular formula C11H22N4 and a molecular weight of 210.32 g/mol. Its IUPAC name is N',1-dimethyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine-6-carboximidamide.

Molecular Properties

Compound NameN',1-dimethyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine-6-carboximidamide
PubChem CID81199518
Molecular FormulaC11H22N4
Molecular Weight210.32 g/mol
Exact Mass210.18
IUPAC NameN',1-dimethyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine-6-carboximidamide
SMILESC/N=C(\N)N1CCC2C(CCCN2C)C1
InChIInChI=1S/C11H22N4/c1-13-11(12)15-7-5-10-9(8-15)4-3-6-14(10)2/h9-10H,3-8H2,1-2H3,(H2,12,13)
InChIKeyZXAIUSVRVPNJLV-UHFFFAOYSA-N
XLogP0.35
TPSA44.86 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 50.35
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',1-dimethyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine-6-carboximidamide?
The IUPAC name of N',1-dimethyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine-6-carboximidamide (CID 81199518) is N',1-dimethyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine-6-carboximidamide.
What is the SMILES notation for N',1-dimethyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine-6-carboximidamide?
The canonical SMILES for N',1-dimethyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine-6-carboximidamide is C/N=C(\N)N1CCC2C(CCCN2C)C1.
What is the InChIKey of N',1-dimethyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine-6-carboximidamide?
The InChIKey is ZXAIUSVRVPNJLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N4/c1-13-11(12)15-7-5-10-9(8-15)4-3-6-14(10)2/h9-10H,3-8H2,1-2H3,(H2,12,13).
What are the key properties of N',1-dimethyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine-6-carboximidamide?
N',1-dimethyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine-6-carboximidamide has a molecular weight of 210.32 g/mol, XLogP of 0.35, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N',1-dimethyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine-6-carboximidamide is sourced from PubChem (CID 81199518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).