5-propan-2-yl-6,7,8,9-tetrahydro-5H-pyrido[3,2-c]azepine

C12H18N2 — CID 132509001

IUPAC5-propan-2-yl-6,7,8,9-tetrahydro-5H-pyrido[3,2-c]azepine
SMILESCC(C)C1NCCCc2ncccc21
InChIInChI=1S/C12H18N2/c1-9(2)12-10-5-3-7-13-11(10)6-4-8-14-12/h3,5,7,9,12,14H,4,6,8H2,1-2H3
InChIKeyXMECXPAZUBGFMF-UHFFFAOYSA-N
MW190.29 g/mol
LogP2.31
Rot. Bonds1

About 5-propan-2-yl-6,7,8,9-tetrahydro-5H-pyrido[3,2-c]azepine

5-propan-2-yl-6,7,8,9-tetrahydro-5H-pyrido[3,2-c]azepine (PubChem CID 132509001) has the molecular formula C12H18N2 and a molecular weight of 190.29 g/mol. Its IUPAC name is 5-propan-2-yl-6,7,8,9-tetrahydro-5H-pyrido[3,2-c]azepine.

Molecular Properties

Compound Name5-propan-2-yl-6,7,8,9-tetrahydro-5H-pyrido[3,2-c]azepine
PubChem CID132509001
Molecular FormulaC12H18N2
Molecular Weight190.29 g/mol
Exact Mass190.15
IUPAC Name5-propan-2-yl-6,7,8,9-tetrahydro-5H-pyrido[3,2-c]azepine
SMILESCC(C)C1NCCCc2ncccc21
InChIInChI=1S/C12H18N2/c1-9(2)12-10-5-3-7-13-11(10)6-4-8-14-12/h3,5,7,9,12,14H,4,6,8H2,1-2H3
InChIKeyXMECXPAZUBGFMF-UHFFFAOYSA-N
XLogP2.31
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.29
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-propan-2-yl-6,7,8,9-tetrahydro-5H-pyrido[3,2-c]azepine?
The IUPAC name of 5-propan-2-yl-6,7,8,9-tetrahydro-5H-pyrido[3,2-c]azepine (CID 132509001) is 5-propan-2-yl-6,7,8,9-tetrahydro-5H-pyrido[3,2-c]azepine.
What is the SMILES notation for 5-propan-2-yl-6,7,8,9-tetrahydro-5H-pyrido[3,2-c]azepine?
The canonical SMILES for 5-propan-2-yl-6,7,8,9-tetrahydro-5H-pyrido[3,2-c]azepine is CC(C)C1NCCCc2ncccc21.
What is the InChIKey of 5-propan-2-yl-6,7,8,9-tetrahydro-5H-pyrido[3,2-c]azepine?
The InChIKey is XMECXPAZUBGFMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2/c1-9(2)12-10-5-3-7-13-11(10)6-4-8-14-12/h3,5,7,9,12,14H,4,6,8H2,1-2H3.
What are the key properties of 5-propan-2-yl-6,7,8,9-tetrahydro-5H-pyrido[3,2-c]azepine?
5-propan-2-yl-6,7,8,9-tetrahydro-5H-pyrido[3,2-c]azepine has a molecular weight of 190.29 g/mol, XLogP of 2.31, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propan-2-yl-6,7,8,9-tetrahydro-5H-pyrido[3,2-c]azepine is sourced from PubChem (CID 132509001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).