3,6-di(propan-2-yl)-4,5,7,8-tetrahydro-3H-1,6-naphthyridine

C14H24N2 — CID 58748059

IUPAC3,6-di(propan-2-yl)-4,5,7,8-tetrahydro-3H-1,6-naphthyridine
SMILESCC(C)C1C=NC2=C(C1)CN(C(C)C)CC2
InChIInChI=1S/C14H24N2/c1-10(2)12-7-13-9-16(11(3)4)6-5-14(13)15-8-12/h8,10-12H,5-7,9H2,1-4H3
InChIKeyFZQFIYXHLLSMSN-UHFFFAOYSA-N
MW220.36 g/mol
LogP3.10
Rot. Bonds2

About 3,6-di(propan-2-yl)-4,5,7,8-tetrahydro-3H-1,6-naphthyridine

3,6-di(propan-2-yl)-4,5,7,8-tetrahydro-3H-1,6-naphthyridine (PubChem CID 58748059) has the molecular formula C14H24N2 and a molecular weight of 220.36 g/mol. Its IUPAC name is 3,6-di(propan-2-yl)-4,5,7,8-tetrahydro-3H-1,6-naphthyridine.

Molecular Properties

Compound Name3,6-di(propan-2-yl)-4,5,7,8-tetrahydro-3H-1,6-naphthyridine
PubChem CID58748059
Molecular FormulaC14H24N2
Molecular Weight220.36 g/mol
Exact Mass220.19
IUPAC Name3,6-di(propan-2-yl)-4,5,7,8-tetrahydro-3H-1,6-naphthyridine
SMILESCC(C)C1C=NC2=C(C1)CN(C(C)C)CC2
InChIInChI=1S/C14H24N2/c1-10(2)12-7-13-9-16(11(3)4)6-5-14(13)15-8-12/h8,10-12H,5-7,9H2,1-4H3
InChIKeyFZQFIYXHLLSMSN-UHFFFAOYSA-N
XLogP3.10
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-N-[(4-methylcyclohexen-1-yl)methyl]-2,3,4,5-tetrahydropyridin-4-amine
CID 71040680
6-butan-2-yl-2-methyl-4,5,7,8-tetrahydro-3H-1,6-naphthyridine
CID 142358588
CID 156868908
CID 156868908

Frequently Asked Questions

What is the IUPAC name of 3,6-di(propan-2-yl)-4,5,7,8-tetrahydro-3H-1,6-naphthyridine?
The IUPAC name of 3,6-di(propan-2-yl)-4,5,7,8-tetrahydro-3H-1,6-naphthyridine (CID 58748059) is 3,6-di(propan-2-yl)-4,5,7,8-tetrahydro-3H-1,6-naphthyridine.
What is the SMILES notation for 3,6-di(propan-2-yl)-4,5,7,8-tetrahydro-3H-1,6-naphthyridine?
The canonical SMILES for 3,6-di(propan-2-yl)-4,5,7,8-tetrahydro-3H-1,6-naphthyridine is CC(C)C1C=NC2=C(C1)CN(C(C)C)CC2.
What is the InChIKey of 3,6-di(propan-2-yl)-4,5,7,8-tetrahydro-3H-1,6-naphthyridine?
The InChIKey is FZQFIYXHLLSMSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2/c1-10(2)12-7-13-9-16(11(3)4)6-5-14(13)15-8-12/h8,10-12H,5-7,9H2,1-4H3.
What are the key properties of 3,6-di(propan-2-yl)-4,5,7,8-tetrahydro-3H-1,6-naphthyridine?
3,6-di(propan-2-yl)-4,5,7,8-tetrahydro-3H-1,6-naphthyridine has a molecular weight of 220.36 g/mol, XLogP of 3.10, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-di(propan-2-yl)-4,5,7,8-tetrahydro-3H-1,6-naphthyridine is sourced from PubChem (CID 58748059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).