3-ethyl-N,6,7-trimethyl-3,4,5,6-tetrahydro-1H-1,8-naphthyridin-2-imine

C13H21N3 — CID 136617439

IUPAC3-ethyl-N,6,7-trimethyl-3,4,5,6-tetrahydro-1H-1,8-naphthyridin-2-imine
SMILESCCC1CC2=C(N=C(C)C(C)C2)N/C1=N/C
InChIInChI=1S/C13H21N3/c1-5-10-7-11-6-8(2)9(3)15-13(11)16-12(10)14-4/h8,10H,5-7H2,1-4H3,(H,14,16)
InChIKeyVBCRRAKVPPRMRO-UHFFFAOYSA-N
MW219.33 g/mol
LogP2.75
Rot. Bonds1

About 3-ethyl-N,6,7-trimethyl-3,4,5,6-tetrahydro-1H-1,8-naphthyridin-2-imine

3-ethyl-N,6,7-trimethyl-3,4,5,6-tetrahydro-1H-1,8-naphthyridin-2-imine (PubChem CID 136617439) has the molecular formula C13H21N3 and a molecular weight of 219.33 g/mol. Its IUPAC name is 3-ethyl-N,6,7-trimethyl-3,4,5,6-tetrahydro-1H-1,8-naphthyridin-2-imine.

Molecular Properties

Compound Name3-ethyl-N,6,7-trimethyl-3,4,5,6-tetrahydro-1H-1,8-naphthyridin-2-imine
PubChem CID136617439
Molecular FormulaC13H21N3
Molecular Weight219.33 g/mol
Exact Mass219.17
IUPAC Name3-ethyl-N,6,7-trimethyl-3,4,5,6-tetrahydro-1H-1,8-naphthyridin-2-imine
SMILESCCC1CC2=C(N=C(C)C(C)C2)N/C1=N/C
InChIInChI=1S/C13H21N3/c1-5-10-7-11-6-8(2)9(3)15-13(11)16-12(10)14-4/h8,10H,5-7H2,1-4H3,(H,14,16)
InChIKeyVBCRRAKVPPRMRO-UHFFFAOYSA-N
XLogP2.75
TPSA36.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

(8S)-3,7-diethyl-2,8-dimethyl-3,4,5,5a,6,7,8,10-octahydropyrido[2,3-b][1,8]naphthyridine
CID 91102247
N,3,7,8-tetramethyl-3,4,5,5a,6,9-hexahydro-1H-pyrido[2,3-b][1,8]naphthyridin-2-imine
CID 137100475

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-N,6,7-trimethyl-3,4,5,6-tetrahydro-1H-1,8-naphthyridin-2-imine?
The IUPAC name of 3-ethyl-N,6,7-trimethyl-3,4,5,6-tetrahydro-1H-1,8-naphthyridin-2-imine (CID 136617439) is 3-ethyl-N,6,7-trimethyl-3,4,5,6-tetrahydro-1H-1,8-naphthyridin-2-imine.
What is the SMILES notation for 3-ethyl-N,6,7-trimethyl-3,4,5,6-tetrahydro-1H-1,8-naphthyridin-2-imine?
The canonical SMILES for 3-ethyl-N,6,7-trimethyl-3,4,5,6-tetrahydro-1H-1,8-naphthyridin-2-imine is CCC1CC2=C(N=C(C)C(C)C2)N/C1=N/C.
What is the InChIKey of 3-ethyl-N,6,7-trimethyl-3,4,5,6-tetrahydro-1H-1,8-naphthyridin-2-imine?
The InChIKey is VBCRRAKVPPRMRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3/c1-5-10-7-11-6-8(2)9(3)15-13(11)16-12(10)14-4/h8,10H,5-7H2,1-4H3,(H,14,16).
What are the key properties of 3-ethyl-N,6,7-trimethyl-3,4,5,6-tetrahydro-1H-1,8-naphthyridin-2-imine?
3-ethyl-N,6,7-trimethyl-3,4,5,6-tetrahydro-1H-1,8-naphthyridin-2-imine has a molecular weight of 219.33 g/mol, XLogP of 2.75, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-N,6,7-trimethyl-3,4,5,6-tetrahydro-1H-1,8-naphthyridin-2-imine is sourced from PubChem (CID 136617439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).