7-butan-2-yl-2-ethyl-1,3,4,8-tetrahydro-2,7-naphthyridine

C14H24N2 — CID 71066778

IUPAC7-butan-2-yl-2-ethyl-1,3,4,8-tetrahydro-2,7-naphthyridine
SMILESCCC(C)N1C=CC2=C(CN(CC)CC2)C1
InChIInChI=1S/C14H24N2/c1-4-12(3)16-9-7-13-6-8-15(5-2)10-14(13)11-16/h7,9,12H,4-6,8,10-11H2,1-3H3
InChIKeyVCHDHDXBRNSZJY-UHFFFAOYSA-N
MW220.36 g/mol
LogP2.64
Rot. Bonds3

About 7-butan-2-yl-2-ethyl-1,3,4,8-tetrahydro-2,7-naphthyridine

7-butan-2-yl-2-ethyl-1,3,4,8-tetrahydro-2,7-naphthyridine (PubChem CID 71066778) has the molecular formula C14H24N2 and a molecular weight of 220.36 g/mol. Its IUPAC name is 7-butan-2-yl-2-ethyl-1,3,4,8-tetrahydro-2,7-naphthyridine.

Molecular Properties

Compound Name7-butan-2-yl-2-ethyl-1,3,4,8-tetrahydro-2,7-naphthyridine
PubChem CID71066778
Molecular FormulaC14H24N2
Molecular Weight220.36 g/mol
Exact Mass220.19
IUPAC Name7-butan-2-yl-2-ethyl-1,3,4,8-tetrahydro-2,7-naphthyridine
SMILESCCC(C)N1C=CC2=C(CN(CC)CC2)C1
InChIInChI=1S/C14H24N2/c1-4-12(3)16-9-7-13-6-8-15(5-2)10-14(13)11-16/h7,9,12H,4-6,8,10-11H2,1-3H3
InChIKeyVCHDHDXBRNSZJY-UHFFFAOYSA-N
XLogP2.64
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-butan-2-yl-2-ethyl-1,3,4,8-tetrahydro-2,7-naphthyridine?
The IUPAC name of 7-butan-2-yl-2-ethyl-1,3,4,8-tetrahydro-2,7-naphthyridine (CID 71066778) is 7-butan-2-yl-2-ethyl-1,3,4,8-tetrahydro-2,7-naphthyridine.
What is the SMILES notation for 7-butan-2-yl-2-ethyl-1,3,4,8-tetrahydro-2,7-naphthyridine?
The canonical SMILES for 7-butan-2-yl-2-ethyl-1,3,4,8-tetrahydro-2,7-naphthyridine is CCC(C)N1C=CC2=C(CN(CC)CC2)C1.
What is the InChIKey of 7-butan-2-yl-2-ethyl-1,3,4,8-tetrahydro-2,7-naphthyridine?
The InChIKey is VCHDHDXBRNSZJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2/c1-4-12(3)16-9-7-13-6-8-15(5-2)10-14(13)11-16/h7,9,12H,4-6,8,10-11H2,1-3H3.
What are the key properties of 7-butan-2-yl-2-ethyl-1,3,4,8-tetrahydro-2,7-naphthyridine?
7-butan-2-yl-2-ethyl-1,3,4,8-tetrahydro-2,7-naphthyridine has a molecular weight of 220.36 g/mol, XLogP of 2.64, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-butan-2-yl-2-ethyl-1,3,4,8-tetrahydro-2,7-naphthyridine is sourced from PubChem (CID 71066778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).