1-tert-butyl-5-propan-2-yl-2,3,4,4a,6,7,8,8a-octahydro-1,5-naphthyridine

C15H30N2 — CID 164706311

IUPAC1-tert-butyl-5-propan-2-yl-2,3,4,4a,6,7,8,8a-octahydro-1,5-naphthyridine
SMILESCC(C)N1CCCC2C1CCCN2C(C)(C)C
InChIInChI=1S/C15H30N2/c1-12(2)16-10-6-9-14-13(16)8-7-11-17(14)15(3,4)5/h12-14H,6-11H2,1-5H3
InChIKeyVBUZLQKVPHQVIG-UHFFFAOYSA-N
MW238.42 g/mol
LogP3.12
Rot. Bonds1

About 1-tert-butyl-5-propan-2-yl-2,3,4,4a,6,7,8,8a-octahydro-1,5-naphthyridine

1-tert-butyl-5-propan-2-yl-2,3,4,4a,6,7,8,8a-octahydro-1,5-naphthyridine (PubChem CID 164706311) has the molecular formula C15H30N2 and a molecular weight of 238.42 g/mol. Its IUPAC name is 1-tert-butyl-5-propan-2-yl-2,3,4,4a,6,7,8,8a-octahydro-1,5-naphthyridine.

Molecular Properties

Compound Name1-tert-butyl-5-propan-2-yl-2,3,4,4a,6,7,8,8a-octahydro-1,5-naphthyridine
PubChem CID164706311
Molecular FormulaC15H30N2
Molecular Weight238.42 g/mol
Exact Mass238.24
IUPAC Name1-tert-butyl-5-propan-2-yl-2,3,4,4a,6,7,8,8a-octahydro-1,5-naphthyridine
SMILESCC(C)N1CCCC2C1CCCN2C(C)(C)C
InChIInChI=1S/C15H30N2/c1-12(2)16-10-6-9-14-13(16)8-7-11-17(14)15(3,4)5/h12-14H,6-11H2,1-5H3
InChIKeyVBUZLQKVPHQVIG-UHFFFAOYSA-N
XLogP3.12
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.42
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-5-propan-2-yl-2,3,4,4a,6,7,8,8a-octahydro-1,5-naphthyridine?
The IUPAC name of 1-tert-butyl-5-propan-2-yl-2,3,4,4a,6,7,8,8a-octahydro-1,5-naphthyridine (CID 164706311) is 1-tert-butyl-5-propan-2-yl-2,3,4,4a,6,7,8,8a-octahydro-1,5-naphthyridine.
What is the SMILES notation for 1-tert-butyl-5-propan-2-yl-2,3,4,4a,6,7,8,8a-octahydro-1,5-naphthyridine?
The canonical SMILES for 1-tert-butyl-5-propan-2-yl-2,3,4,4a,6,7,8,8a-octahydro-1,5-naphthyridine is CC(C)N1CCCC2C1CCCN2C(C)(C)C.
What is the InChIKey of 1-tert-butyl-5-propan-2-yl-2,3,4,4a,6,7,8,8a-octahydro-1,5-naphthyridine?
The InChIKey is VBUZLQKVPHQVIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2/c1-12(2)16-10-6-9-14-13(16)8-7-11-17(14)15(3,4)5/h12-14H,6-11H2,1-5H3.
What are the key properties of 1-tert-butyl-5-propan-2-yl-2,3,4,4a,6,7,8,8a-octahydro-1,5-naphthyridine?
1-tert-butyl-5-propan-2-yl-2,3,4,4a,6,7,8,8a-octahydro-1,5-naphthyridine has a molecular weight of 238.42 g/mol, XLogP of 3.12, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-5-propan-2-yl-2,3,4,4a,6,7,8,8a-octahydro-1,5-naphthyridine is sourced from PubChem (CID 164706311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).