2-propan-2-yl-3,4,5,6,7,8-hexahydro-1,6-naphthyridine

C11H18N2 — CID 142358610

IUPAC2-propan-2-yl-3,4,5,6,7,8-hexahydro-1,6-naphthyridine
SMILESCC(C)C1=NC2=C(CC1)CNCC2
InChIInChI=1S/C11H18N2/c1-8(2)10-4-3-9-7-12-6-5-11(9)13-10/h8,12H,3-7H2,1-2H3
InChIKeyRBUYGZFXSJDPOD-UHFFFAOYSA-N
MW178.28 g/mol
LogP2.12
Rot. Bonds1

About 2-propan-2-yl-3,4,5,6,7,8-hexahydro-1,6-naphthyridine

2-propan-2-yl-3,4,5,6,7,8-hexahydro-1,6-naphthyridine (PubChem CID 142358610) has the molecular formula C11H18N2 and a molecular weight of 178.28 g/mol. Its IUPAC name is 2-propan-2-yl-3,4,5,6,7,8-hexahydro-1,6-naphthyridine.

Molecular Properties

Compound Name2-propan-2-yl-3,4,5,6,7,8-hexahydro-1,6-naphthyridine
PubChem CID142358610
Molecular FormulaC11H18N2
Molecular Weight178.28 g/mol
Exact Mass178.15
IUPAC Name2-propan-2-yl-3,4,5,6,7,8-hexahydro-1,6-naphthyridine
SMILESCC(C)C1=NC2=C(CC1)CNCC2
InChIInChI=1S/C11H18N2/c1-8(2)10-4-3-9-7-12-6-5-11(9)13-10/h8,12H,3-7H2,1-2H3
InChIKeyRBUYGZFXSJDPOD-UHFFFAOYSA-N
XLogP2.12
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.28
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yl-3,4,5,6,7,8-hexahydro-1,6-naphthyridine?
The IUPAC name of 2-propan-2-yl-3,4,5,6,7,8-hexahydro-1,6-naphthyridine (CID 142358610) is 2-propan-2-yl-3,4,5,6,7,8-hexahydro-1,6-naphthyridine.
What is the SMILES notation for 2-propan-2-yl-3,4,5,6,7,8-hexahydro-1,6-naphthyridine?
The canonical SMILES for 2-propan-2-yl-3,4,5,6,7,8-hexahydro-1,6-naphthyridine is CC(C)C1=NC2=C(CC1)CNCC2.
What is the InChIKey of 2-propan-2-yl-3,4,5,6,7,8-hexahydro-1,6-naphthyridine?
The InChIKey is RBUYGZFXSJDPOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2/c1-8(2)10-4-3-9-7-12-6-5-11(9)13-10/h8,12H,3-7H2,1-2H3.
What are the key properties of 2-propan-2-yl-3,4,5,6,7,8-hexahydro-1,6-naphthyridine?
2-propan-2-yl-3,4,5,6,7,8-hexahydro-1,6-naphthyridine has a molecular weight of 178.28 g/mol, XLogP of 2.12, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yl-3,4,5,6,7,8-hexahydro-1,6-naphthyridine is sourced from PubChem (CID 142358610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).