7-propan-2-yl-5,6,8,9-tetrahydropyrazino[2,3-d]azepin-3-amine

C11H18N4 — CID 13037033

IUPAC7-propan-2-yl-5,6,8,9-tetrahydropyrazino[2,3-d]azepin-3-amine
SMILESCC(C)N1CCc2ncc(N)nc2CC1
InChIInChI=1S/C11H18N4/c1-8(2)15-5-3-9-10(4-6-15)14-11(12)7-13-9/h7-8H,3-6H2,1-2H3,(H2,12,14)
InChIKeyGATWTVHXATVXNN-UHFFFAOYSA-N
MW206.29 g/mol
LogP0.87
Rot. Bonds1

About 7-propan-2-yl-5,6,8,9-tetrahydropyrazino[2,3-d]azepin-3-amine

7-propan-2-yl-5,6,8,9-tetrahydropyrazino[2,3-d]azepin-3-amine (PubChem CID 13037033) has the molecular formula C11H18N4 and a molecular weight of 206.29 g/mol. Its IUPAC name is 7-propan-2-yl-5,6,8,9-tetrahydropyrazino[2,3-d]azepin-3-amine.

Molecular Properties

Compound Name7-propan-2-yl-5,6,8,9-tetrahydropyrazino[2,3-d]azepin-3-amine
PubChem CID13037033
Molecular FormulaC11H18N4
Molecular Weight206.29 g/mol
Exact Mass206.15
IUPAC Name7-propan-2-yl-5,6,8,9-tetrahydropyrazino[2,3-d]azepin-3-amine
SMILESCC(C)N1CCc2ncc(N)nc2CC1
InChIInChI=1S/C11H18N4/c1-8(2)15-5-3-9-10(4-6-15)14-11(12)7-13-9/h7-8H,3-6H2,1-2H3,(H2,12,14)
InChIKeyGATWTVHXATVXNN-UHFFFAOYSA-N
XLogP0.87
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-propan-2-yl-5,6,8,9-tetrahydropyrazino[2,3-d]azepin-3-amine?
The IUPAC name of 7-propan-2-yl-5,6,8,9-tetrahydropyrazino[2,3-d]azepin-3-amine (CID 13037033) is 7-propan-2-yl-5,6,8,9-tetrahydropyrazino[2,3-d]azepin-3-amine.
What is the SMILES notation for 7-propan-2-yl-5,6,8,9-tetrahydropyrazino[2,3-d]azepin-3-amine?
The canonical SMILES for 7-propan-2-yl-5,6,8,9-tetrahydropyrazino[2,3-d]azepin-3-amine is CC(C)N1CCc2ncc(N)nc2CC1.
What is the InChIKey of 7-propan-2-yl-5,6,8,9-tetrahydropyrazino[2,3-d]azepin-3-amine?
The InChIKey is GATWTVHXATVXNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4/c1-8(2)15-5-3-9-10(4-6-15)14-11(12)7-13-9/h7-8H,3-6H2,1-2H3,(H2,12,14).
What are the key properties of 7-propan-2-yl-5,6,8,9-tetrahydropyrazino[2,3-d]azepin-3-amine?
7-propan-2-yl-5,6,8,9-tetrahydropyrazino[2,3-d]azepin-3-amine has a molecular weight of 206.29 g/mol, XLogP of 0.87, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-propan-2-yl-5,6,8,9-tetrahydropyrazino[2,3-d]azepin-3-amine is sourced from PubChem (CID 13037033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).