N,3,7,8-tetramethyl-3,4,5,5a,6,9-hexahydro-1H-pyrido[2,3-b][1,8]naphthyridin-2-imine

C15H22N4 — CID 137100475

IUPACN,3,7,8-tetramethyl-3,4,5,5a,6,9-hexahydro-1H-pyrido[2,3-b][1,8]naphthyridin-2-imine
SMILESC/N=C1/NC2=C(CC3CC(C)=C(C)NC3=N2)CC1C
InChIInChI=1S/C15H22N4/c1-8-5-11-7-12-6-9(2)13(16-4)18-15(12)19-14(11)17-10(8)3/h9,11H,5-7H2,1-4H3,(H,16,18)(H,17,19)
InChIKeyJELRIEFKLXEKLD-UHFFFAOYSA-N
MW258.37 g/mol
LogP2.56
Rot. Bonds

About N,3,7,8-tetramethyl-3,4,5,5a,6,9-hexahydro-1H-pyrido[2,3-b][1,8]naphthyridin-2-imine

N,3,7,8-tetramethyl-3,4,5,5a,6,9-hexahydro-1H-pyrido[2,3-b][1,8]naphthyridin-2-imine (PubChem CID 137100475) has the molecular formula C15H22N4 and a molecular weight of 258.37 g/mol. Its IUPAC name is N,3,7,8-tetramethyl-3,4,5,5a,6,9-hexahydro-1H-pyrido[2,3-b][1,8]naphthyridin-2-imine.

Molecular Properties

Compound NameN,3,7,8-tetramethyl-3,4,5,5a,6,9-hexahydro-1H-pyrido[2,3-b][1,8]naphthyridin-2-imine
PubChem CID137100475
Molecular FormulaC15H22N4
Molecular Weight258.37 g/mol
Exact Mass258.18
IUPAC NameN,3,7,8-tetramethyl-3,4,5,5a,6,9-hexahydro-1H-pyrido[2,3-b][1,8]naphthyridin-2-imine
SMILESC/N=C1/NC2=C(CC3CC(C)=C(C)NC3=N2)CC1C
InChIInChI=1S/C15H22N4/c1-8-5-11-7-12-6-9(2)13(16-4)18-15(12)19-14(11)17-10(8)3/h9,11H,5-7H2,1-4H3,(H,16,18)(H,17,19)
InChIKeyJELRIEFKLXEKLD-UHFFFAOYSA-N
XLogP2.56
TPSA48.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.37
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(7R)-4,4,7-trimethyl-5,6,7,8-tetrahydro-1H-quinazolin-2-amine
CID 21793391
(7S)-4,4,7-trimethyl-5,6,7,8-tetrahydro-1H-quinazolin-2-amine
CID 341001
2,6,7-Trimethyl-1,4,5,6,7,8-hexahydroquinazoline
CID 53948556
3,7,8-Trimethyl-3,4,5,5a,6,9-hexahydropyrido[2,3-b][1,8]naphthyridin-2-amine
CID 90961072
2,3,8,9-Tetramethyl-1,4,4a,5,6,6a,7,8,9,11-decahydro-1,8-naphthyridino[2,3-b][1,8]naphthyridine
CID 91361353
3-ethyl-N,6,7-trimethyl-3,4,5,6-tetrahydro-1H-1,8-naphthyridin-2-imine
CID 136617439
4,4,7-trimethyl-5,6,7,8-tetrahydro-1H-quinazolin-2-amine
CID 3405601
(7R)-2,4,4,7-tetramethyl-5,6,7,8-tetrahydro-1H-quinazoline
CID 21793392

Frequently Asked Questions

What is the IUPAC name of N,3,7,8-tetramethyl-3,4,5,5a,6,9-hexahydro-1H-pyrido[2,3-b][1,8]naphthyridin-2-imine?
The IUPAC name of N,3,7,8-tetramethyl-3,4,5,5a,6,9-hexahydro-1H-pyrido[2,3-b][1,8]naphthyridin-2-imine (CID 137100475) is N,3,7,8-tetramethyl-3,4,5,5a,6,9-hexahydro-1H-pyrido[2,3-b][1,8]naphthyridin-2-imine.
What is the SMILES notation for N,3,7,8-tetramethyl-3,4,5,5a,6,9-hexahydro-1H-pyrido[2,3-b][1,8]naphthyridin-2-imine?
The canonical SMILES for N,3,7,8-tetramethyl-3,4,5,5a,6,9-hexahydro-1H-pyrido[2,3-b][1,8]naphthyridin-2-imine is C/N=C1/NC2=C(CC3CC(C)=C(C)NC3=N2)CC1C.
What is the InChIKey of N,3,7,8-tetramethyl-3,4,5,5a,6,9-hexahydro-1H-pyrido[2,3-b][1,8]naphthyridin-2-imine?
The InChIKey is JELRIEFKLXEKLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4/c1-8-5-11-7-12-6-9(2)13(16-4)18-15(12)19-14(11)17-10(8)3/h9,11H,5-7H2,1-4H3,(H,16,18)(H,17,19).
What are the key properties of N,3,7,8-tetramethyl-3,4,5,5a,6,9-hexahydro-1H-pyrido[2,3-b][1,8]naphthyridin-2-imine?
N,3,7,8-tetramethyl-3,4,5,5a,6,9-hexahydro-1H-pyrido[2,3-b][1,8]naphthyridin-2-imine has a molecular weight of 258.37 g/mol, XLogP of 2.56, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,3,7,8-tetramethyl-3,4,5,5a,6,9-hexahydro-1H-pyrido[2,3-b][1,8]naphthyridin-2-imine is sourced from PubChem (CID 137100475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).