2-tert-butyl-1,8a-dihydro-1,6-naphthyridin-5-amine

C12H17N3 — CID 90254267

IUPAC2-tert-butyl-1,8a-dihydro-1,6-naphthyridin-5-amine
SMILESCC(C)(C)C1=CC=C2C(N)=NC=CC2N1
InChIInChI=1S/C12H17N3/c1-12(2,3)10-5-4-8-9(15-10)6-7-14-11(8)13/h4-7,9,15H,1-3H3,(H2,13,14)
InChIKeyYESGTHJIJKWEHQ-UHFFFAOYSA-N
MW203.29 g/mol
LogP1.70
Rot. Bonds

About 2-tert-butyl-1,8a-dihydro-1,6-naphthyridin-5-amine

2-tert-butyl-1,8a-dihydro-1,6-naphthyridin-5-amine (PubChem CID 90254267) has the molecular formula C12H17N3 and a molecular weight of 203.29 g/mol. Its IUPAC name is 2-tert-butyl-1,8a-dihydro-1,6-naphthyridin-5-amine.

Molecular Properties

Compound Name2-tert-butyl-1,8a-dihydro-1,6-naphthyridin-5-amine
PubChem CID90254267
Molecular FormulaC12H17N3
Molecular Weight203.29 g/mol
Exact Mass203.14
IUPAC Name2-tert-butyl-1,8a-dihydro-1,6-naphthyridin-5-amine
SMILESCC(C)(C)C1=CC=C2C(N)=NC=CC2N1
InChIInChI=1S/C12H17N3/c1-12(2,3)10-5-4-8-9(15-10)6-7-14-11(8)13/h4-7,9,15H,1-3H3,(H2,13,14)
InChIKeyYESGTHJIJKWEHQ-UHFFFAOYSA-N
XLogP1.70
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.29
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(3,3-dimethyl-2,4-dihydro-1H-pyridin-6-yl)ethenyl]-5,5-dimethyl-4,6-dihydro-1H-pyrimidine
CID 22090026
6-ethenyl-3-methylidene-5-N-propan-2-ylazepine-2,5-diamine
CID 90126466
5-N-ethyl-6-methylideneisoindole-1,5-diamine
CID 123212757
(5E,6E)-N-propan-2-yl-5,6-bis(prop-2-enylidene)pyrimidin-4-amine
CID 134558396
3-(1-aminoethenyl)-6-methylidene-7-methylimino-N-propan-2-yl-1H-azepin-4-amine
CID 136632054
ethane;6-[(3Z,5Z)-3-methylnona-3,5-dien-2-yl]-1,8a-dihydro-1,7-naphthyridin-8-amine
CID 141890602
6-(3-Methyl-1,2-dihydropyridin-2-yl)-1,8a-dihydro-1,7-naphthyridin-8-amine
CID 141890606
1,8a-Dihydro-1,7-naphthyridin-8-amine
CID 141890607
ethane;2-[(3E)-hexa-1,3,5-trien-3-yl]-N-propan-2-yl-6H-cyclohepta[d]pyrimidin-4-amine;molecular hydrogen
CID 142924190
4-methyl-5-methylidene-3H-pyrido[2,3-d]pyrimidine
CID 145119941
6,7-Dihydro-2,6-naphthyridin-1-amine
CID 164136635
1-N,3-di(propan-2-yl)-6,7-dihydro-2,6-naphthyridine-1,7-diamine
CID 170188123

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-1,8a-dihydro-1,6-naphthyridin-5-amine?
The IUPAC name of 2-tert-butyl-1,8a-dihydro-1,6-naphthyridin-5-amine (CID 90254267) is 2-tert-butyl-1,8a-dihydro-1,6-naphthyridin-5-amine.
What is the SMILES notation for 2-tert-butyl-1,8a-dihydro-1,6-naphthyridin-5-amine?
The canonical SMILES for 2-tert-butyl-1,8a-dihydro-1,6-naphthyridin-5-amine is CC(C)(C)C1=CC=C2C(N)=NC=CC2N1.
What is the InChIKey of 2-tert-butyl-1,8a-dihydro-1,6-naphthyridin-5-amine?
The InChIKey is YESGTHJIJKWEHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3/c1-12(2,3)10-5-4-8-9(15-10)6-7-14-11(8)13/h4-7,9,15H,1-3H3,(H2,13,14).
What are the key properties of 2-tert-butyl-1,8a-dihydro-1,6-naphthyridin-5-amine?
2-tert-butyl-1,8a-dihydro-1,6-naphthyridin-5-amine has a molecular weight of 203.29 g/mol, XLogP of 1.70, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-1,8a-dihydro-1,6-naphthyridin-5-amine is sourced from PubChem (CID 90254267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).