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

C14H22N4 — CID 13037040

IUPAC7-cyclohexyl-5,6,8,9-tetrahydropyrazino[2,3-d]azepin-3-amine
SMILESNc1cnc2c(n1)CCN(C1CCCCC1)CC2
InChIInChI=1S/C14H22N4/c15-14-10-16-12-6-8-18(9-7-13(12)17-14)11-4-2-1-3-5-11/h10-11H,1-9H2,(H2,15,17)
InChIKeyULKVZILOGFJEQK-UHFFFAOYSA-N
MW246.36 g/mol
LogP1.79
Rot. Bonds1

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

7-cyclohexyl-5,6,8,9-tetrahydropyrazino[2,3-d]azepin-3-amine (PubChem CID 13037040) has the molecular formula C14H22N4 and a molecular weight of 246.36 g/mol. Its IUPAC name is 7-cyclohexyl-5,6,8,9-tetrahydropyrazino[2,3-d]azepin-3-amine.

Molecular Properties

Compound Name7-cyclohexyl-5,6,8,9-tetrahydropyrazino[2,3-d]azepin-3-amine
PubChem CID13037040
Molecular FormulaC14H22N4
Molecular Weight246.36 g/mol
Exact Mass246.18
IUPAC Name7-cyclohexyl-5,6,8,9-tetrahydropyrazino[2,3-d]azepin-3-amine
SMILESNc1cnc2c(n1)CCN(C1CCCCC1)CC2
InChIInChI=1S/C14H22N4/c15-14-10-16-12-6-8-18(9-7-13(12)17-14)11-4-2-1-3-5-11/h10-11H,1-9H2,(H2,15,17)
InChIKeyULKVZILOGFJEQK-UHFFFAOYSA-N
XLogP1.79
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.36
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-cyclohexyl-5,6,8,9-tetrahydropyrazino[2,3-d]azepin-3-amine?
The IUPAC name of 7-cyclohexyl-5,6,8,9-tetrahydropyrazino[2,3-d]azepin-3-amine (CID 13037040) is 7-cyclohexyl-5,6,8,9-tetrahydropyrazino[2,3-d]azepin-3-amine.
What is the SMILES notation for 7-cyclohexyl-5,6,8,9-tetrahydropyrazino[2,3-d]azepin-3-amine?
The canonical SMILES for 7-cyclohexyl-5,6,8,9-tetrahydropyrazino[2,3-d]azepin-3-amine is Nc1cnc2c(n1)CCN(C1CCCCC1)CC2.
What is the InChIKey of 7-cyclohexyl-5,6,8,9-tetrahydropyrazino[2,3-d]azepin-3-amine?
The InChIKey is ULKVZILOGFJEQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4/c15-14-10-16-12-6-8-18(9-7-13(12)17-14)11-4-2-1-3-5-11/h10-11H,1-9H2,(H2,15,17).
What are the key properties of 7-cyclohexyl-5,6,8,9-tetrahydropyrazino[2,3-d]azepin-3-amine?
7-cyclohexyl-5,6,8,9-tetrahydropyrazino[2,3-d]azepin-3-amine has a molecular weight of 246.36 g/mol, XLogP of 1.79, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-cyclohexyl-5,6,8,9-tetrahydropyrazino[2,3-d]azepin-3-amine is sourced from PubChem (CID 13037040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).