ethane;N,1,7-trimethyl-3,4-dihydro-1,8-naphthyridin-2-imine

C13H21N3 — CID 91335327

IUPACethane;N,1,7-trimethyl-3,4-dihydro-1,8-naphthyridin-2-imine
SMILESC/N=C1\CCc2ccc(C)nc2N1C.CC
InChIInChI=1S/C11H15N3.C2H6/c1-8-4-5-9-6-7-10(12-2)14(3)11(9)13-8;1-2/h4-5H,6-7H2,1-3H3;1-2H3/b12-10+;
InChIKeyWTIPTTQIMIKROW-VHPXAQPISA-N
MW219.33 g/mol
LogP2.83
Rot. Bonds

About ethane;N,1,7-trimethyl-3,4-dihydro-1,8-naphthyridin-2-imine

ethane;N,1,7-trimethyl-3,4-dihydro-1,8-naphthyridin-2-imine (PubChem CID 91335327) has the molecular formula C13H21N3 and a molecular weight of 219.33 g/mol. Its IUPAC name is ethane;N,1,7-trimethyl-3,4-dihydro-1,8-naphthyridin-2-imine.

Molecular Properties

Compound Nameethane;N,1,7-trimethyl-3,4-dihydro-1,8-naphthyridin-2-imine
PubChem CID91335327
Molecular FormulaC13H21N3
Molecular Weight219.33 g/mol
Exact Mass219.17
IUPAC Nameethane;N,1,7-trimethyl-3,4-dihydro-1,8-naphthyridin-2-imine
SMILESC/N=C1\CCc2ccc(C)nc2N1C.CC
InChIInChI=1S/C11H15N3.C2H6/c1-8-4-5-9-6-7-10(12-2)14(3)11(9)13-8;1-2/h4-5H,6-7H2,1-3H3;1-2H3/b12-10+;
InChIKeyWTIPTTQIMIKROW-VHPXAQPISA-N
XLogP2.83
TPSA28.49 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 112445
N-Methylquipazine
CID 5013
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CID 11370427
N,N-dimethylquinolin-2-amine
CID 588801
4-Methyl-6-propylpyridin-2-amine
CID 9855524
6-Isobutyl-4-methylpyridin-2-amine
CID 10197851
2-[4-(1-Ethyl-propyl)-piperazin-1-yl]-quinoline
CID 11314275
2-(4-Cyclopropyl-piperazin-1-yl)-quinoline
CID 11324846

Frequently Asked Questions

What is the IUPAC name of ethane;N,1,7-trimethyl-3,4-dihydro-1,8-naphthyridin-2-imine?
The IUPAC name of ethane;N,1,7-trimethyl-3,4-dihydro-1,8-naphthyridin-2-imine (CID 91335327) is ethane;N,1,7-trimethyl-3,4-dihydro-1,8-naphthyridin-2-imine.
What is the SMILES notation for ethane;N,1,7-trimethyl-3,4-dihydro-1,8-naphthyridin-2-imine?
The canonical SMILES for ethane;N,1,7-trimethyl-3,4-dihydro-1,8-naphthyridin-2-imine is C/N=C1\CCc2ccc(C)nc2N1C.CC.
What is the InChIKey of ethane;N,1,7-trimethyl-3,4-dihydro-1,8-naphthyridin-2-imine?
The InChIKey is WTIPTTQIMIKROW-VHPXAQPISA-N. The full InChI is InChI=1S/C11H15N3.C2H6/c1-8-4-5-9-6-7-10(12-2)14(3)11(9)13-8;1-2/h4-5H,6-7H2,1-3H3;1-2H3/b12-10+;.
What are the key properties of ethane;N,1,7-trimethyl-3,4-dihydro-1,8-naphthyridin-2-imine?
ethane;N,1,7-trimethyl-3,4-dihydro-1,8-naphthyridin-2-imine has a molecular weight of 219.33 g/mol, XLogP of 2.83, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N,1,7-trimethyl-3,4-dihydro-1,8-naphthyridin-2-imine is sourced from PubChem (CID 91335327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).